[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate

C18H18O4 — CID 602375

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
SMILESCC(O)CC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18O4/c1-13(19)11-18(21)22-12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3
InChIKeyHURSMECFMZIOGH-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.85
Rot. Bonds6

About [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate

[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate (PubChem CID 602375) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
PubChem CID602375
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
SMILESCC(O)CC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18O4/c1-13(19)11-18(21)22-12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3
InChIKeyHURSMECFMZIOGH-UHFFFAOYSA-N
XLogP2.85
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate 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-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
CID 7228115
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 23821920
3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
CID 116606231
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
[2-oxo-2-(4-phenylphenyl)ethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209368
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904837
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate
CID 9318151
3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7627706
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971558

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate (CID 602375) is [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate is CC(O)CC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate?
The InChIKey is HURSMECFMZIOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(19)11-18(21)22-12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate has a molecular weight of 298.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate is sourced from PubChem (CID 602375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).