2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid

C16H14O4 — CID 563772

IUPAC2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14O4/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)
InChIKeyMVSAOJIYSPMXBM-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.46
Rot. Bonds6

About 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid

2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 563772) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID563772
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14O4/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)
InChIKeyMVSAOJIYSPMXBM-UHFFFAOYSA-N
XLogP2.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-oxo-3-(4-phenylmethoxyphenyl)propanoic 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-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
CID 57045753
N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide;ethane
CID 143396477
4-phenylmethoxybenzoic acid
CID 68896574
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid
CID 91387791
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid (CID 563772) is 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid is O=C(O)C(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is MVSAOJIYSPMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19).
What are the key properties of 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid?
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 270.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 563772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).