(2S)-2-(4-phenylphenyl)butanoate

C16H15O2- — CID 86294889

IUPAC(2S)-2-(4-phenylphenyl)butanoate
SMILESCC[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18)/p-1/t15-/m0/s1
InChIKeyIYEPZNKOJZOGJG-HNNXBMFYSA-M
MW239.29 g/mol
LogP2.60
Rot. Bonds4

About (2S)-2-(4-phenylphenyl)butanoate

(2S)-2-(4-phenylphenyl)butanoate (PubChem CID 86294889) has the molecular formula C16H15O2- and a molecular weight of 239.29 g/mol. Its IUPAC name is (2S)-2-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Name(2S)-2-(4-phenylphenyl)butanoate
PubChem CID86294889
Molecular FormulaC16H15O2-
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name(2S)-2-(4-phenylphenyl)butanoate
SMILESCC[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18)/p-1/t15-/m0/s1
InChIKeyIYEPZNKOJZOGJG-HNNXBMFYSA-M
XLogP2.60
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-phenylphenyl)butanoate 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

1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one
CID 141048792
sodium (2S)-2-[4-(2-methylpropyl)phenyl]butanoate
CID 121491967
2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride
CID 117068940
bis(lanthanum(3+));bis(1,10-phenanthroline);hexakis((2R)-2-phenylbutanoate)
CID 139201180
4-methyl-2-phenylpentanoate
CID 22376993
(2S)-2-bromo-3-(4-phenylphenyl)pentanoic acid
CID 139912765
2-[4-(trifluoromethylsulfanyl)phenyl]butanoate
CID 154413095
(2R)-2-phenylbutanamide
CID 139147476
2-(2-chlorophenyl)butanoate
CID 22456439
2-(4-benzoylphenyl)butanoic acid
CID 22621594
2-phenyloctadecanoate
CID 22742145
potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate
CID 23666635

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenylphenyl)butanoate?
The IUPAC name of (2S)-2-(4-phenylphenyl)butanoate (CID 86294889) is (2S)-2-(4-phenylphenyl)butanoate.
What is the SMILES notation for (2S)-2-(4-phenylphenyl)butanoate?
The canonical SMILES for (2S)-2-(4-phenylphenyl)butanoate is CC[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-phenylphenyl)butanoate?
The InChIKey is IYEPZNKOJZOGJG-HNNXBMFYSA-M. The full InChI is InChI=1S/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18)/p-1/t15-/m0/s1.
What are the key properties of (2S)-2-(4-phenylphenyl)butanoate?
(2S)-2-(4-phenylphenyl)butanoate has a molecular weight of 239.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenylphenyl)butanoate is sourced from PubChem (CID 86294889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).