10-hydroxy-2-phenyloctadecanoic acid

C24H40O3 — CID 67642354

IUPAC10-hydroxy-2-phenyloctadecanoic acid
SMILESCCCCCCCCC(O)CCCCCCCC(C(=O)O)c1ccccc1
InChIInChI=1S/C24H40O3/c1-2-3-4-5-7-13-18-22(25)19-14-8-6-9-15-20-23(24(26)27)21-16-11-10-12-17-21/h10-12,16-17,22-23,25H,2-9,13-15,18-20H2,1H3,(H,26,27)
InChIKeyUKHRPILVWCAURF-UHFFFAOYSA-N
MW376.58 g/mol
LogP6.70
Rot. Bonds17

About 10-hydroxy-2-phenyloctadecanoic acid

10-hydroxy-2-phenyloctadecanoic acid (PubChem CID 67642354) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is 10-hydroxy-2-phenyloctadecanoic acid.

Molecular Properties

Compound Name10-hydroxy-2-phenyloctadecanoic acid
PubChem CID67642354
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Name10-hydroxy-2-phenyloctadecanoic acid
SMILESCCCCCCCCC(O)CCCCCCCC(C(=O)O)c1ccccc1
InChIInChI=1S/C24H40O3/c1-2-3-4-5-7-13-18-22(25)19-14-8-6-9-15-20-23(24(26)27)21-16-11-10-12-17-21/h10-12,16-17,22-23,25H,2-9,13-15,18-20H2,1H3,(H,26,27)
InChIKeyUKHRPILVWCAURF-UHFFFAOYSA-N
XLogP6.70
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 ≤ 56.70
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

methyl 12-hydroxy-2-phenyloctadecanoate
CID 139643446
butyl 12-hydroxy-2-phenyloctadecanoate
CID 139643450
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-phenyloctadecanoic acid
CID 68846606
2-phenyloctadecanoate
CID 22742145
2-phenyloctadecanoyl chloride
CID 154195260
(Z)-2-(4-phenylphenyl)octadec-9-enoic acid
CID 163591600
7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxydecyl)-5-oxocyclopentyl]-2-phenylheptanoic acid
CID 163637738
2-(4-fluorophenyl)nonanoic acid
CID 79434490
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017
7-[(1S,2S)-2-octylcyclopentyl]-2-phenylheptanoic acid
CID 22788984
2-phenylheptanamide
CID 67221214
7-methyl-2-phenyloctanoic acid
CID 83162771

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-2-phenyloctadecanoic acid?
The IUPAC name of 10-hydroxy-2-phenyloctadecanoic acid (CID 67642354) is 10-hydroxy-2-phenyloctadecanoic acid.
What is the SMILES notation for 10-hydroxy-2-phenyloctadecanoic acid?
The canonical SMILES for 10-hydroxy-2-phenyloctadecanoic acid is CCCCCCCCC(O)CCCCCCCC(C(=O)O)c1ccccc1.
What is the InChIKey of 10-hydroxy-2-phenyloctadecanoic acid?
The InChIKey is UKHRPILVWCAURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O3/c1-2-3-4-5-7-13-18-22(25)19-14-8-6-9-15-20-23(24(26)27)21-16-11-10-12-17-21/h10-12,16-17,22-23,25H,2-9,13-15,18-20H2,1H3,(H,26,27).
What are the key properties of 10-hydroxy-2-phenyloctadecanoic acid?
10-hydroxy-2-phenyloctadecanoic acid has a molecular weight of 376.58 g/mol, XLogP of 6.70, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-2-phenyloctadecanoic acid is sourced from PubChem (CID 67642354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).