2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid

C16H14O3 — CID 19024124

IUPAC2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid
SMILESO=C(O)C(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C16H14O3/c17-15(16(18)19)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)
InChIKeyKYCBEEJRZMNHHI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.74
Rot. Bonds5

About 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid

2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid (PubChem CID 19024124) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid
PubChem CID19024124
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid
SMILESO=C(O)C(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C16H14O3/c17-15(16(18)19)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)
InChIKeyKYCBEEJRZMNHHI-UHFFFAOYSA-N
XLogP2.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-bromoethyl)phenyl]-2-oxoacetic acid
CID 174329046
methyl 2-(2-phenylethyl)benzoate
CID 59701000
2-[2-(bromomethyl)phenyl]-2-oxoacetic acid
CID 18629528
2-(2-ethylphenyl)-2-oxoacetic acid;hydrate
CID 174608087
2-(2-oxalophenyl)-2-oxoacetic acid
CID 22610354
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884
2-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922
2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
CID 26543
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2118279

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid?
The IUPAC name of 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid (CID 19024124) is 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid.
What is the SMILES notation for 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid?
The canonical SMILES for 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid is O=C(O)C(=O)c1ccccc1CCc1ccccc1.
What is the InChIKey of 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid?
The InChIKey is KYCBEEJRZMNHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(16(18)19)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19).
What are the key properties of 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid?
2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid is sourced from PubChem (CID 19024124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).