(2S)-2,4-bis(4-chlorophenyl)butanoic acid

C16H14Cl2O2 — CID 129322566

IUPAC(2S)-2,4-bis(4-chlorophenyl)butanoic acid
SMILESO=C(O)C(CCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c17-13-6-1-11(2-7-13)3-10-15(16(19)20)12-4-8-14(18)9-5-12/h1-2,4-9,15H,3,10H2,(H,19,20)
InChIKeyZDNLBVMYBRMMEB-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.79
Rot. Bonds5

About (2S)-2,4-bis(4-chlorophenyl)butanoic acid

(2S)-2,4-bis(4-chlorophenyl)butanoic acid (PubChem CID 129322566) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is (2S)-2,4-bis(4-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2,4-bis(4-chlorophenyl)butanoic acid
PubChem CID129322566
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name(2S)-2,4-bis(4-chlorophenyl)butanoic acid
SMILESO=C(O)C(CCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c17-13-6-1-11(2-7-13)3-10-15(16(19)20)12-4-8-14(18)9-5-12/h1-2,4-9,15H,3,10H2,(H,19,20)
InChIKeyZDNLBVMYBRMMEB-UHFFFAOYSA-N
XLogP4.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
2-(4-chlorophenyl)-4-ethoxybutanoic acid
CID 79440541
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590790
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
2-(4-chlorophenyl)-4-ethylsulfonylbutanoic acid
CID 79434809
(2R)-2-(4-chlorophenyl)-4-[di(propan-2-yl)amino]butanoic acid
CID 27281938
4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
CID 134304846
2-[4-(4-chlorophenyl)butyl]propanedioic acid
CID 135387064
2-(4-chlorophenyl)-4-hydroxyhexanoic acid
CID 79441149
(2S)-2-(4-chlorophenyl)pent-4-enoic acid
CID 11447156

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-bis(4-chlorophenyl)butanoic acid?
The IUPAC name of (2S)-2,4-bis(4-chlorophenyl)butanoic acid (CID 129322566) is (2S)-2,4-bis(4-chlorophenyl)butanoic acid.
What is the SMILES notation for (2S)-2,4-bis(4-chlorophenyl)butanoic acid?
The canonical SMILES for (2S)-2,4-bis(4-chlorophenyl)butanoic acid is O=C(O)C(CCc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2,4-bis(4-chlorophenyl)butanoic acid?
The InChIKey is ZDNLBVMYBRMMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-13-6-1-11(2-7-13)3-10-15(16(19)20)12-4-8-14(18)9-5-12/h1-2,4-9,15H,3,10H2,(H,19,20).
What are the key properties of (2S)-2,4-bis(4-chlorophenyl)butanoic acid?
(2S)-2,4-bis(4-chlorophenyl)butanoic acid has a molecular weight of 309.19 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-bis(4-chlorophenyl)butanoic acid is sourced from PubChem (CID 129322566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).