2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid

C13H16O4 — CID 22937872

IUPAC2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid
SMILESCC(=O)CC(O)(CCc1ccccc1)C(=O)O
InChIInChI=1S/C13H16O4/c1-10(14)9-13(17,12(15)16)8-7-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,16)
InChIKeyZTSBYOXVHRXFHL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.41
Rot. Bonds6

About 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid

2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid (PubChem CID 22937872) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid
PubChem CID22937872
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid
SMILESCC(=O)CC(O)(CCc1ccccc1)C(=O)O
InChIInChI=1S/C13H16O4/c1-10(14)9-13(17,12(15)16)8-7-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,16)
InChIKeyZTSBYOXVHRXFHL-UHFFFAOYSA-N
XLogP1.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic 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-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-oxopentanoic acid;hydrate
CID 131886062
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
4-hydroxy-4-(2-phenylethyl)heptan-2-one
CID 59072553
2,2-dihydroxy-4-phenylbutanoic acid
CID 54448569
4,4-dimethyl-7-phenylheptane-2,5-dione
CID 166439938
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222
5-phenylpentan-2-one
CID 16701
4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
2-hydroxy-2-(3-phenylpropyl)propanedioic acid
CID 121011263
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
phenol;4-phenylbutan-2-one
CID 160537429

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid?
The IUPAC name of 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid (CID 22937872) is 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid.
What is the SMILES notation for 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid?
The canonical SMILES for 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid is CC(=O)CC(O)(CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid?
The InChIKey is ZTSBYOXVHRXFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-10(14)9-13(17,12(15)16)8-7-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid?
2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid is sourced from PubChem (CID 22937872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).