2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid

C15H12O4 — CID 139999915

IUPAC2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid
SMILESO=CC(O)(c1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C15H12O4/c16-10-15(19,11-6-2-1-3-7-11)13-9-5-4-8-12(13)14(17)18/h1-10,19H,(H,17,18)
InChIKeyUWEYZTRXIQKAQF-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.82
Rot. Bonds4

About 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid

2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid (PubChem CID 139999915) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid
PubChem CID139999915
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid
SMILESO=CC(O)(c1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C15H12O4/c16-10-15(19,11-6-2-1-3-7-11)13-9-5-4-8-12(13)14(17)18/h1-10,19H,(H,17,18)
InChIKeyUWEYZTRXIQKAQF-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxy-(2-carboxyphenyl)-hydroxymethyl]benzoic acid;2-hydroxyacetic acid
CID 68780546
2-(2-sulfanylpropan-2-yl)benzoic acid
CID 91874166
formic acid;phthalic acid
CID 159829564
2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde
CID 153327847
2-hydroxy-3-tritylbenzoic acid
CID 19779155
C20H18NaO11P2
CID 156588820
2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid
CID 174743902
3-[diamino(phenyl)methyl]phthalic acid
CID 140943111
methanediol;phthalic acid
CID 70525231
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid?
The IUPAC name of 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid (CID 139999915) is 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid.
What is the SMILES notation for 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid?
The canonical SMILES for 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid is O=CC(O)(c1ccccc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid?
The InChIKey is UWEYZTRXIQKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-10-15(19,11-6-2-1-3-7-11)13-9-5-4-8-12(13)14(17)18/h1-10,19H,(H,17,18).
What are the key properties of 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid?
2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid is sourced from PubChem (CID 139999915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).