8-(4-hydroxyphenyl)octadecanoic acid

C24H40O3 — CID 101311385

IUPAC8-(4-hydroxyphenyl)octadecanoic acid
SMILESCCCCCCCCCCC(CCCCCCC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-11-14-21(22-17-19-23(25)20-18-22)15-12-9-10-13-16-24(26)27/h17-21,25H,2-16H2,1H3,(H,26,27)
InChIKeyYZHACMHILCGKDB-UHFFFAOYSA-N
MW376.58 g/mol
LogP7.43
Rot. Bonds17

About 8-(4-hydroxyphenyl)octadecanoic acid

8-(4-hydroxyphenyl)octadecanoic acid (PubChem CID 101311385) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is 8-(4-hydroxyphenyl)octadecanoic acid.

Molecular Properties

Compound Name8-(4-hydroxyphenyl)octadecanoic acid
PubChem CID101311385
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Name8-(4-hydroxyphenyl)octadecanoic acid
SMILESCCCCCCCCCCC(CCCCCCC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-11-14-21(22-17-19-23(25)20-18-22)15-12-9-10-13-16-24(26)27/h17-21,25H,2-16H2,1H3,(H,26,27)
InChIKeyYZHACMHILCGKDB-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

11-phenyloctadecanoic acid
CID 101320092
6-phenyloctadecanoic acid
CID 56981512
4-hexadecan-7-ylphenol
CID 71320883
4-undecan-6-ylphenol
CID 66867197
9-(4-sulfophenyl)octadecanoic acid
CID 141320101
10-(4-ethenylphenyl)nonadecanoic acid
CID 100987364
4-phenyldodecanoic acid
CID 67722235
4-dodecan-3-ylphenol
CID 12820022
5-(4-sulfophenyl)dodecanoic acid
CID 139597216
7-(2-hydroxyphenyl)octadecanoic acid
CID 101311355
4-aminophenol;dodecanoic acid
CID 157063847
4-(1-hydroxytridecyl)phenol
CID 57120972

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxyphenyl)octadecanoic acid?
The IUPAC name of 8-(4-hydroxyphenyl)octadecanoic acid (CID 101311385) is 8-(4-hydroxyphenyl)octadecanoic acid.
What is the SMILES notation for 8-(4-hydroxyphenyl)octadecanoic acid?
The canonical SMILES for 8-(4-hydroxyphenyl)octadecanoic acid is CCCCCCCCCCC(CCCCCCC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 8-(4-hydroxyphenyl)octadecanoic acid?
The InChIKey is YZHACMHILCGKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-11-14-21(22-17-19-23(25)20-18-22)15-12-9-10-13-16-24(26)27/h17-21,25H,2-16H2,1H3,(H,26,27).
What are the key properties of 8-(4-hydroxyphenyl)octadecanoic acid?
8-(4-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 8-(4-hydroxyphenyl)octadecanoic acid is sourced from PubChem (CID 101311385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).