(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate

C16H12ClO3- — CID 6987093

IUPAC(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
SMILESO=C(C[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H13ClO3/c17-13-8-6-11(7-9-13)14(16(19)20)10-15(18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,20)/p-1/t14-/m1/s1
InChIKeyPMMZTHWHCZULAV-CQSZACIVSA-M
MW287.72 g/mol
LogP2.45
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate

(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate (PubChem CID 6987093) has the molecular formula C16H12ClO3- and a molecular weight of 287.72 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
PubChem CID6987093
Molecular FormulaC16H12ClO3-
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
SMILESO=C(C[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H13ClO3/c17-13-8-6-11(7-9-13)14(16(19)20)10-15(18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,20)/p-1/t14-/m1/s1
InChIKeyPMMZTHWHCZULAV-CQSZACIVSA-M
XLogP2.45
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate 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

(2S)-4-oxo-2,4-diphenylbutanoate
CID 6950858
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioic acid
CID 67292277
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
CID 15639390
1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
1-(4-chlorophenyl)-3-oxo-3-phenylpropane-1-sulfonic acid
CID 58077556
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
CID 70489362
dipropan-2-yl 2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioate
CID 132527286

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate (CID 6987093) is (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate is O=C(C[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate?
The InChIKey is PMMZTHWHCZULAV-CQSZACIVSA-M. The full InChI is InChI=1S/C16H13ClO3/c17-13-8-6-11(7-9-13)14(16(19)20)10-15(18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,20)/p-1/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate?
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate has a molecular weight of 287.72 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate is sourced from PubChem (CID 6987093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).