15-(4-iodophenyl)-3-methylpentadecanoic acid

Modify Date: 2026-09-10 12:35:47

15-(4-iodophenyl)-3-methylpentadecanoic acid Structure
15-(4-iodophenyl)-3-methylpentadecanoic acid structure
Common Name 15-(4-iodophenyl)-3-methylpentadecanoic acid
CAS Number 116754-87-1 Molecular Weight 458.41700
Density 1.237g/cm3 Boiling Point 506.1ºC at 760mmHg
Molecular Formula C22H35IO2 Melting Point N/A
MSDS N/A Flash Point 259.9ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 15-(4-iodophenyl)-3-methylpentadecanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.237g/cm3
Boiling Point 506.1ºC at 760mmHg
Molecular Formula C22H35IO2
Molecular Weight 458.41700
Flash Point 259.9ºC
Exact Mass 458.16800
PSA 37.30000
LogP 7.23560
Vapour Pressure 4.57E-11mmHg at 25°C
Index of Refraction 1.533
InChIKey NPCIWINHUDIWAV-UHFFFAOYSA-N
SMILES CC(CCCCCCCCCCCCc1ccc(I)cc1)CC(=O)O

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  5

DownStream  0

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Heart uptake in percent injected dose/gram (range) was determined in female fischer r...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL766456
Name: Heart uptake in percent injected dose/gram (range) was determined in female fischer r...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL766457
Name: Thyroid uptake in percent injected dose/gram (range) was determined in female fischer...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL777266
Name: Heart uptake in percent injected dose/gram (range) was determined in female fischer r...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL768094
Name: Thyroid uptake in percent injected dose/gram (range) was determined in female fischer...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL777264
Name: Kidneys uptake in percent injected dose/gram (range) was determined in female fischer...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL773010
Name: Kidneys uptake in percent injected dose/gram (range) was determined in female fischer...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL777971
Name: Kidneys uptake in percent injected dose/gram (range) was determined in female fischer...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL777972
Name: Kidneys uptake in percent injected dose/gram (range) was determined in female fischer...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL773011
Name: Liver uptake in percent injected dose/gram (range) was determined in female fischer r...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL778578
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Benzenepentadecanoicacid,4-iodo-b-methyl
BMPDA

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the boiling point of 15-(4-iodophenyl)-3-methylpentadecanoic acid?
A: Boiling point of 15-(4-iodophenyl)-3-methylpentadecanoic acid is 506.1ºC at 760mmHg.
Q: What is the polar surface area (PSA) of 15-(4-iodophenyl)-3-methylpentadecanoic acid?
A: Polar surface area (PSA) of 15-(4-iodophenyl)-3-methylpentadecanoic acid is 37.30000.
Q: What is the InChIKey of 15-(4-iodophenyl)-3-methylpentadecanoic acid?
A: InChIKey of 15-(4-iodophenyl)-3-methylpentadecanoic acid is NPCIWINHUDIWAV-UHFFFAOYSA-N.
Q: What is the molecular formula of 15-(4-iodophenyl)-3-methylpentadecanoic acid?
A: Molecular formula of 15-(4-iodophenyl)-3-methylpentadecanoic acid is C22H35IO2.
Q: What is the CAS number of 15-(4-iodophenyl)-3-methylpentadecanoic acid?
A: CAS number of 15-(4-iodophenyl)-3-methylpentadecanoic acid is 116754-87-1.
Q: What is the English name of 15-(4-iodophenyl)-3-methylpentadecanoic acid?
A: The English name of 15-(4-iodophenyl)-3-methylpentadecanoic acid is 15-(4-iodophenyl)-3-methylpentadecanoic acid.
Q: What is the LogP of 15-(4-iodophenyl)-3-methylpentadecanoic acid?
A: LogP of 15-(4-iodophenyl)-3-methylpentadecanoic acid is 7.23560.
Q: What is the molecular weight of 15-(4-iodophenyl)-3-methylpentadecanoic acid?
A: Molecular weight of 15-(4-iodophenyl)-3-methylpentadecanoic acid is 458.41700.
Q: What is the SMILES notation of 15-(4-iodophenyl)-3-methylpentadecanoic acid?
A: SMILES notation of 15-(4-iodophenyl)-3-methylpentadecanoic acid is CC(CCCCCCCCCCCCc1ccc(I)cc1)CC(=O)O.
Q: What is the Chinese name of 116754-87-1?
A: Chinese name of 116754-87-1 is 116754-87-1.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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