2-hydroxy-3-oxo-4-phenylbutanoic acid

C10H10O4 — CID 151330520

IUPAC2-hydroxy-3-oxo-4-phenylbutanoic acid
SMILESO=C(O)C(O)C(=O)Cc1ccccc1
InChIInChI=1S/C10H10O4/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,13,14)
InChIKeyOIJCDEDMMCZLNJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.24
Rot. Bonds4

About 2-hydroxy-3-oxo-4-phenylbutanoic acid

2-hydroxy-3-oxo-4-phenylbutanoic acid (PubChem CID 151330520) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-hydroxy-3-oxo-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-oxo-4-phenylbutanoic acid
PubChem CID151330520
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-hydroxy-3-oxo-4-phenylbutanoic acid
SMILESO=C(O)C(O)C(=O)Cc1ccccc1
InChIInChI=1S/C10H10O4/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,13,14)
InChIKeyOIJCDEDMMCZLNJ-UHFFFAOYSA-N
XLogP0.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

hydroxy-dioxido-(2-phenylacetyl)phosphanium
CID 136773120
1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one
CID 3414619
3-fluoro-4-hydroxy-1-phenylbutan-2-one
CID 141355894
3-amino-1,4-diphenylbutan-2-one
CID 20792391
(3S,6R)-1,3,6,8-tetraphenyloctane-2,4,5,7-tetrone
CID 124578428
1,3-diphenyl(213C)propan-2-one
CID 100945080
(3S,4R)-4-hydroxy-3-(methylamino)-1-phenylpentan-2-one
CID 23519310
3-(methylamino)-1-phenylbutan-2-one
CID 116564854
2-hydroxy-3-oxo-4-(phenylmethoxycarbonylamino)butanoic acid
CID 139920935
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-oxo-4-phenylbutanoic acid?
The IUPAC name of 2-hydroxy-3-oxo-4-phenylbutanoic acid (CID 151330520) is 2-hydroxy-3-oxo-4-phenylbutanoic acid.
What is the SMILES notation for 2-hydroxy-3-oxo-4-phenylbutanoic acid?
The canonical SMILES for 2-hydroxy-3-oxo-4-phenylbutanoic acid is O=C(O)C(O)C(=O)Cc1ccccc1.
What is the InChIKey of 2-hydroxy-3-oxo-4-phenylbutanoic acid?
The InChIKey is OIJCDEDMMCZLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,13,14).
What are the key properties of 2-hydroxy-3-oxo-4-phenylbutanoic acid?
2-hydroxy-3-oxo-4-phenylbutanoic acid has a molecular weight of 194.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-oxo-4-phenylbutanoic acid is sourced from PubChem (CID 151330520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).