(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid

C25H23ClO3 — CID 70063150

IUPAC(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid
SMILESCCC(c1ccccc1)[C@H](CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C25H23ClO3/c1-2-22(19-6-4-3-5-7-19)23(25(28)29)16-24(27)20-10-8-17(9-11-20)18-12-14-21(26)15-13-18/h3-15,22-23H,2,16H2,1H3,(H,28,29)/t22?,23-/m0/s1
InChIKeyAKUODBBRKYAMLG-WCSIJFPASA-N
MW406.91 g/mol
LogP6.47
Rot. Bonds8

About (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid

(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid (PubChem CID 70063150) has the molecular formula C25H23ClO3 and a molecular weight of 406.91 g/mol. Its IUPAC name is (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid
PubChem CID70063150
Molecular FormulaC25H23ClO3
Molecular Weight406.91 g/mol
Exact Mass406.13
IUPAC Name(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid
SMILESCCC(c1ccccc1)[C@H](CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C25H23ClO3/c1-2-22(19-6-4-3-5-7-19)23(25(28)29)16-24(27)20-10-8-17(9-11-20)18-12-14-21(26)15-13-18/h3-15,22-23H,2,16H2,1H3,(H,28,29)/t22?,23-/m0/s1
InChIKeyAKUODBBRKYAMLG-WCSIJFPASA-N
XLogP6.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic 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

3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-4-methylpentanoic acid
CID 15389685
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioic acid
CID 67292277
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
2-[(1S)-1-(4-chlorophenyl)propyl]propanedioic acid
CID 902051
2-[1-(4-chlorophenyl)propyl]propanedioic acid
CID 3442135
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
(2S)-2-(benzenesulfonylmethyl)-4-[4-(4-chlorophenyl)phenyl]-4-oxobutanoic acid
CID 54327915
2-ethyl-3-(1-phenylpropyl)butanedioic acid
CID 20603732
4-[4-(4-chlorophenyl)phenyl]-2-[[2-(diethylcarbamoyl)phenyl]sulfanylmethyl]-4-oxobutanoic acid
CID 139902391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid?
The IUPAC name of (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid (CID 70063150) is (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid.
What is the SMILES notation for (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid?
The canonical SMILES for (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid is CCC(c1ccccc1)[C@H](CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid?
The InChIKey is AKUODBBRKYAMLG-WCSIJFPASA-N. The full InChI is InChI=1S/C25H23ClO3/c1-2-22(19-6-4-3-5-7-19)23(25(28)29)16-24(27)20-10-8-17(9-11-20)18-12-14-21(26)15-13-18/h3-15,22-23H,2,16H2,1H3,(H,28,29)/t22?,23-/m0/s1.
What are the key properties of (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid?
(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid has a molecular weight of 406.91 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-3-phenylpentanoic acid is sourced from PubChem (CID 70063150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).