4-(2-decyl-4-hydroxyphenyl)benzoic acid

C23H30O3 — CID 70357774

IUPAC4-(2-decyl-4-hydroxyphenyl)benzoic acid
SMILESCCCCCCCCCCc1cc(O)ccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-10-20-17-21(24)15-16-22(20)18-11-13-19(14-12-18)23(25)26/h11-17,24H,2-10H2,1H3,(H,25,26)
InChIKeyZVCLLARJLCYOMP-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.44
Rot. Bonds11

About 4-(2-decyl-4-hydroxyphenyl)benzoic acid

4-(2-decyl-4-hydroxyphenyl)benzoic acid (PubChem CID 70357774) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-(2-decyl-4-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-decyl-4-hydroxyphenyl)benzoic acid
PubChem CID70357774
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name4-(2-decyl-4-hydroxyphenyl)benzoic acid
SMILESCCCCCCCCCCc1cc(O)ccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-10-20-17-21(24)15-16-22(20)18-11-13-19(14-12-18)23(25)26/h11-17,24H,2-10H2,1H3,(H,25,26)
InChIKeyZVCLLARJLCYOMP-UHFFFAOYSA-N
XLogP6.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.44
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

4-[4-hydroxy-2-(4-octylphenyl)phenyl]benzoic acid
CID 67864428
3-dodecyl-4-phenylbenzoic acid
CID 19933758
hexadecane;4-hydroxybenzoic acid
CID 66671223
4-hydroxy-2-octadecylbenzoic acid
CID 23112599
4-hydroxy-2-pentadecylbenzoic acid
CID 69021357
4-hydroxy-2-pentylbenzoic acid
CID 23618603
4-[4-(4-carbonochloridoylphenyl)-2,5-dihexylphenyl]benzoyl chloride
CID 54457056
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932
3-hydroxy-4-undecylbenzoic acid
CID 101311225
3,4-didodecylbenzoic acid
CID 71073316
4-(4-dodecylphenyl)benzoic acid
CID 3092136

Frequently Asked Questions

What is the IUPAC name of 4-(2-decyl-4-hydroxyphenyl)benzoic acid?
The IUPAC name of 4-(2-decyl-4-hydroxyphenyl)benzoic acid (CID 70357774) is 4-(2-decyl-4-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 4-(2-decyl-4-hydroxyphenyl)benzoic acid?
The canonical SMILES for 4-(2-decyl-4-hydroxyphenyl)benzoic acid is CCCCCCCCCCc1cc(O)ccc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-decyl-4-hydroxyphenyl)benzoic acid?
The InChIKey is ZVCLLARJLCYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-10-20-17-21(24)15-16-22(20)18-11-13-19(14-12-18)23(25)26/h11-17,24H,2-10H2,1H3,(H,25,26).
What are the key properties of 4-(2-decyl-4-hydroxyphenyl)benzoic acid?
4-(2-decyl-4-hydroxyphenyl)benzoic acid has a molecular weight of 354.49 g/mol, XLogP of 6.44, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-decyl-4-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 70357774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).