(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid

C16H15ClO2 — CID 129383494

IUPAC(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
SMILESO=C(O)CC[C@@H](c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClO2/c17-14-8-4-7-13(11-14)15(9-10-16(18)19)12-5-2-1-3-6-12/h1-8,11,15H,9-10H2,(H,18,19)/t15-/m0/s1
InChIKeyIPZOTSGNUCTTFY-HNNXBMFYSA-N
MW274.75 g/mol
LogP4.34
Rot. Bonds5

About (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid

(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid (PubChem CID 129383494) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid.

Molecular Properties

Compound Name(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
PubChem CID129383494
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
SMILESO=C(O)CC[C@@H](c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClO2/c17-14-8-4-7-13(11-14)15(9-10-16(18)19)12-5-2-1-3-6-12/h1-8,11,15H,9-10H2,(H,18,19)/t15-/m0/s1
InChIKeyIPZOTSGNUCTTFY-HNNXBMFYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid
CID 67999647
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid
CID 64896597
3-(3-chlorophenyl)-3-phenylpropanal
CID 19076021
4-[2-(3-chlorophenyl)propanoylamino]-5-phenylpentanoic acid
CID 120547125
(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid
CID 175121808
3-(3-chlorophenyl)butanoic acid
CID 71683749
3-[3-chloro-N-(1-phenylethyl)anilino]propanoic acid
CID 82318339
5-azido-4-(3-chlorophenyl)-5-(4-chlorophenyl)pentanoic acid
CID 141326905
4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]butanoic acid
CID 81372584
4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid
CID 10357765
4-(4-nitrophenyl)-4-phenylbutanoic acid
CID 70520346

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid?
The IUPAC name of (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid (CID 129383494) is (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid.
What is the SMILES notation for (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid?
The canonical SMILES for (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid is O=C(O)CC[C@@H](c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid?
The InChIKey is IPZOTSGNUCTTFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClO2/c17-14-8-4-7-13(11-14)15(9-10-16(18)19)12-5-2-1-3-6-12/h1-8,11,15H,9-10H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid?
(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid has a molecular weight of 274.75 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid is sourced from PubChem (CID 129383494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).