(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid

C18H20O2 — CID 125466001

IUPAC(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
SMILESCCc1cccc(CC[C@H](C(=O)O)c2ccccc2)c1
InChIInChI=1S/C18H20O2/c1-2-14-7-6-8-15(13-14)11-12-17(18(19)20)16-9-4-3-5-10-16/h3-10,13,17H,2,11-12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyJJTUBXHLRFDREJ-KRWDZBQOSA-N
MW268.36 g/mol
LogP4.05
Rot. Bonds6

About (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid

(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid (PubChem CID 125466001) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
PubChem CID125466001
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
SMILESCCc1cccc(CC[C@H](C(=O)O)c2ccccc2)c1
InChIInChI=1S/C18H20O2/c1-2-14-7-6-8-15(13-14)11-12-17(18(19)20)16-9-4-3-5-10-16/h3-10,13,17H,2,11-12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyJJTUBXHLRFDREJ-KRWDZBQOSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-4-(3-ethylphenyl)-2-phenylbutanoic 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

(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
CID 125466189
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
(2S)-2,5-diphenylpentanoic acid
CID 7054365
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
2-(3-propylphenyl)butanoic acid
CID 116545486
(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
CID 125491469
2-[3-(3,3-difluoropropyl)phenyl]propanoic acid
CID 84691838
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822
(2S)-2,3-diphenylpropanoic acid
CID 737125
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid?
The IUPAC name of (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid (CID 125466001) is (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid.
What is the SMILES notation for (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid?
The canonical SMILES for (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid is CCc1cccc(CC[C@H](C(=O)O)c2ccccc2)c1.
What is the InChIKey of (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid?
The InChIKey is JJTUBXHLRFDREJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-14-7-6-8-15(13-14)11-12-17(18(19)20)16-9-4-3-5-10-16/h3-10,13,17H,2,11-12H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid?
(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid is sourced from PubChem (CID 125466001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).