7-(2-hydroxyphenyl)octadecanoic acid

C24H40O3 — CID 101311355

IUPAC7-(2-hydroxyphenyl)octadecanoic acid
SMILESCCCCCCCCCCCC(CCCCCC(=O)O)c1ccccc1O
InChIInChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-11-16-21(17-12-10-13-20-24(26)27)22-18-14-15-19-23(22)25/h14-15,18-19,21,25H,2-13,16-17,20H2,1H3,(H,26,27)
InChIKeySFBAGPUICDMESW-UHFFFAOYSA-N
MW376.58 g/mol
LogP7.43
Rot. Bonds17

About 7-(2-hydroxyphenyl)octadecanoic acid

7-(2-hydroxyphenyl)octadecanoic acid (PubChem CID 101311355) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is 7-(2-hydroxyphenyl)octadecanoic acid.

Molecular Properties

Compound Name7-(2-hydroxyphenyl)octadecanoic acid
PubChem CID101311355
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Name7-(2-hydroxyphenyl)octadecanoic acid
SMILESCCCCCCCCCCCC(CCCCCC(=O)O)c1ccccc1O
InChIInChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-11-16-21(17-12-10-13-20-24(26)27)22-18-14-15-19-23(22)25/h14-15,18-19,21,25H,2-13,16-17,20H2,1H3,(H,26,27)
InChIKeySFBAGPUICDMESW-UHFFFAOYSA-N
XLogP7.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pentadecan-6-ylphenol
CID 66865451
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
11-phenyloctadecanoic acid
CID 101320092
6-phenyloctadecanoic acid
CID 56981512
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
2-ethylhexyl 12-(2-hydroxyphenyl)octadecanoate
CID 101311418
2-ethylhexyl 11-(2-hydroxyphenyl)octadecanoate
CID 101311417
4-phenyldodecanoic acid
CID 67722235
2-(1-phenoxynonan-2-yl)phenol
CID 175286505
23-pentylpentatetracontanedioic acid
CID 141048477

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyphenyl)octadecanoic acid?
The IUPAC name of 7-(2-hydroxyphenyl)octadecanoic acid (CID 101311355) is 7-(2-hydroxyphenyl)octadecanoic acid.
What is the SMILES notation for 7-(2-hydroxyphenyl)octadecanoic acid?
The canonical SMILES for 7-(2-hydroxyphenyl)octadecanoic acid is CCCCCCCCCCCC(CCCCCC(=O)O)c1ccccc1O.
What is the InChIKey of 7-(2-hydroxyphenyl)octadecanoic acid?
The InChIKey is SFBAGPUICDMESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-11-16-21(17-12-10-13-20-24(26)27)22-18-14-15-19-23(22)25/h14-15,18-19,21,25H,2-13,16-17,20H2,1H3,(H,26,27).
What are the key properties of 7-(2-hydroxyphenyl)octadecanoic acid?
7-(2-hydroxyphenyl)octadecanoic acid has a molecular weight of 376.58 g/mol, XLogP of 7.43, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyphenyl)octadecanoic acid is sourced from PubChem (CID 101311355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).