5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid

C16H16O4 — CID 57314775

IUPAC5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid
SMILESCCc1cc(C(=O)O)c(-c2ccc(OC)cc2)cc1O
InChIInChI=1S/C16H16O4/c1-3-10-8-14(16(18)19)13(9-15(10)17)11-4-6-12(20-2)7-5-11/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeySLEGBFUEXQEAET-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.33
Rot. Bonds4

About 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid

5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid (PubChem CID 57314775) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid
PubChem CID57314775
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid
SMILESCCc1cc(C(=O)O)c(-c2ccc(OC)cc2)cc1O
InChIInChI=1S/C16H16O4/c1-3-10-8-14(16(18)19)13(9-15(10)17)11-4-6-12(20-2)7-5-11/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeySLEGBFUEXQEAET-UHFFFAOYSA-N
XLogP3.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)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

5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281958
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
CID 19911004
2-ethyl-4-(6-methoxynaphthalen-2-yl)phenol
CID 57242092
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
3-ethyl-2-fluoro-5-methoxybenzoic acid
CID 123425084
5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 158113496
2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
CID 57467590

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid?
The IUPAC name of 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid (CID 57314775) is 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid is CCc1cc(C(=O)O)c(-c2ccc(OC)cc2)cc1O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid?
The InChIKey is SLEGBFUEXQEAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-10-8-14(16(18)19)13(9-15(10)17)11-4-6-12(20-2)7-5-11/h4-9,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid?
5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 57314775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).