4-(4-decoxyphenyl)benzoic acid

C23H30O3 — CID 11451085

IUPAC4-(4-decoxyphenyl)benzoic acid
SMILESCCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-18-26-22-16-14-20(15-17-22)19-10-12-21(13-11-19)23(24)25/h10-17H,2-9,18H2,1H3,(H,24,25)
InChIKeyHQVTYOXUVQQMLD-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.57
Rot. Bonds12

About 4-(4-decoxyphenyl)benzoic acid

4-(4-decoxyphenyl)benzoic acid (PubChem CID 11451085) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-(4-decoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-decoxyphenyl)benzoic acid
PubChem CID11451085
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name4-(4-decoxyphenyl)benzoic acid
SMILESCCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-18-26-22-16-14-20(15-17-22)19-10-12-21(13-11-19)23(24)25/h10-17H,2-9,18H2,1H3,(H,24,25)
InChIKeyHQVTYOXUVQQMLD-UHFFFAOYSA-N
XLogP6.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-decoxyphenyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-decoxyphenyl)benzoic acid?
The IUPAC name of 4-(4-decoxyphenyl)benzoic acid (CID 11451085) is 4-(4-decoxyphenyl)benzoic acid.
What is the SMILES notation for 4-(4-decoxyphenyl)benzoic acid?
The canonical SMILES for 4-(4-decoxyphenyl)benzoic acid is CCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-decoxyphenyl)benzoic acid?
The InChIKey is HQVTYOXUVQQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-18-26-22-16-14-20(15-17-22)19-10-12-21(13-11-19)23(24)25/h10-17H,2-9,18H2,1H3,(H,24,25).
What are the key properties of 4-(4-decoxyphenyl)benzoic acid?
4-(4-decoxyphenyl)benzoic acid has a molecular weight of 354.49 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-decoxyphenyl)benzoic acid is sourced from PubChem (CID 11451085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).