4-hydroxy-3-(1-phenylhexyl)benzoic acid

C19H22O3 — CID 123966093

IUPAC4-hydroxy-3-(1-phenylhexyl)benzoic acid
SMILESCCCCCC(c1ccccc1)c1cc(C(=O)O)ccc1O
InChIInChI=1S/C19H22O3/c1-2-3-5-10-16(14-8-6-4-7-9-14)17-13-15(19(21)22)11-12-18(17)20/h4,6-9,11-13,16,20H,2-3,5,10H2,1H3,(H,21,22)
InChIKeyUDZYLGXNJNUZOB-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.80
Rot. Bonds7

About 4-hydroxy-3-(1-phenylhexyl)benzoic acid

4-hydroxy-3-(1-phenylhexyl)benzoic acid (PubChem CID 123966093) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-hydroxy-3-(1-phenylhexyl)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-(1-phenylhexyl)benzoic acid
PubChem CID123966093
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-hydroxy-3-(1-phenylhexyl)benzoic acid
SMILESCCCCCC(c1ccccc1)c1cc(C(=O)O)ccc1O
InChIInChI=1S/C19H22O3/c1-2-3-5-10-16(14-8-6-4-7-9-14)17-13-15(19(21)22)11-12-18(17)20/h4,6-9,11-13,16,20H,2-3,5,10H2,1H3,(H,21,22)
InChIKeyUDZYLGXNJNUZOB-UHFFFAOYSA-N
XLogP4.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-(1-phenylhexyl)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

Related Compounds

2-(1-phenylnonyl)phenol
CID 67177643
4-hydroxy-3-(1-hydroxypentyl)benzoic acid
CID 10466191
2-(1-phenylpentyl)phenol
CID 19601156
4-[1-(4-carboxyphenyl)octyl]benzoic acid
CID 22642355
4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid
CID 76553624
methyl 4-hydroxy-3-[(1R)-3-hydroxy-1-phenylpropyl]benzoate
CID 121230691
3-[1-(4-hydroxyphenyl)pentyl]benzoic acid
CID 175347324
4-[1-(4-heptylphenyl)heptyl]benzoic acid
CID 67568318
3-(1-aminopentyl)-4-fluorobenzoic acid
CID 138110302
carbonic acid;methyl 2-(1-phenylhexadecyl)benzoate
CID 174362485
benzoic acid;decan-5-ol
CID 71345643
4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide
CID 170367659

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1-phenylhexyl)benzoic acid?
The IUPAC name of 4-hydroxy-3-(1-phenylhexyl)benzoic acid (CID 123966093) is 4-hydroxy-3-(1-phenylhexyl)benzoic acid.
What is the SMILES notation for 4-hydroxy-3-(1-phenylhexyl)benzoic acid?
The canonical SMILES for 4-hydroxy-3-(1-phenylhexyl)benzoic acid is CCCCCC(c1ccccc1)c1cc(C(=O)O)ccc1O.
What is the InChIKey of 4-hydroxy-3-(1-phenylhexyl)benzoic acid?
The InChIKey is UDZYLGXNJNUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-3-5-10-16(14-8-6-4-7-9-14)17-13-15(19(21)22)11-12-18(17)20/h4,6-9,11-13,16,20H,2-3,5,10H2,1H3,(H,21,22).
What are the key properties of 4-hydroxy-3-(1-phenylhexyl)benzoic acid?
4-hydroxy-3-(1-phenylhexyl)benzoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1-phenylhexyl)benzoic acid is sourced from PubChem (CID 123966093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).