2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid

C15H12O4 — CID 10729737

IUPAC2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)c1ccccc1O
InChIInChI=1S/C15H12O4/c16-13-8-4-3-7-12(13)14(17)9-10-5-1-2-6-11(10)15(18)19/h1-8,16H,9H2,(H,18,19)
InChIKeyYJKZCVCMSBTFRS-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.52
Rot. Bonds4

About 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid

2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid (PubChem CID 10729737) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
PubChem CID10729737
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)c1ccccc1O
InChIInChI=1S/C15H12O4/c16-13-8-4-3-7-12(13)14(17)9-10-5-1-2-6-11(10)15(18)19/h1-8,16H,9H2,(H,18,19)
InChIKeyYJKZCVCMSBTFRS-UHFFFAOYSA-N
XLogP2.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-hydroxyphenyl)-2-oxoethyl]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-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid (CID 10729737) is 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid is O=C(Cc1ccccc1C(=O)O)c1ccccc1O.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid?
The InChIKey is YJKZCVCMSBTFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-13-8-4-3-7-12(13)14(17)9-10-5-1-2-6-11(10)15(18)19/h1-8,16H,9H2,(H,18,19).
What are the key properties of 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid?
2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 10729737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).