2-(2-chlorophenyl)-4-methylpentanoic acid

C12H15ClO2 — CID 79019167

IUPAC2-(2-chlorophenyl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H15ClO2/c1-8(2)7-10(12(14)15)9-5-3-4-6-11(9)13/h3-6,8,10H,7H2,1-2H3,(H,14,15)
InChIKeyZOBWLWMTGCMGJB-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.55
Rot. Bonds4

About 2-(2-chlorophenyl)-4-methylpentanoic acid

2-(2-chlorophenyl)-4-methylpentanoic acid (PubChem CID 79019167) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methylpentanoic acid
PubChem CID79019167
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(2-chlorophenyl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H15ClO2/c1-8(2)7-10(12(14)15)9-5-3-4-6-11(9)13/h3-6,8,10H,7H2,1-2H3,(H,14,15)
InChIKeyZOBWLWMTGCMGJB-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
(2S)-2-(2-chlorophenyl)-4-(methylamino)-4-oxobutanoic acid
CID 94687943
3-benzamido-2-(2-chlorophenyl)propanoic acid
CID 170945297
2-(2-chlorophenyl)-6,6-dimethylheptanoic acid
CID 114209661
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
2-(2-amino-3-methylphenyl)-4-methylpentanoic acid
CID 106987995
2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
3-[1-(2-chlorophenyl)ethylamino]-2-phenylpropanoic acid
CID 64558637
2-(5-chloro-2-methoxyphenyl)-4-methylpentanoic acid
CID 82089067
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methylpentanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-4-methylpentanoic acid (CID 79019167) is 2-(2-chlorophenyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-methylpentanoic acid?
The InChIKey is ZOBWLWMTGCMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8(2)7-10(12(14)15)9-5-3-4-6-11(9)13/h3-6,8,10H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-chlorophenyl)-4-methylpentanoic acid?
2-(2-chlorophenyl)-4-methylpentanoic acid has a molecular weight of 226.70 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methylpentanoic acid is sourced from PubChem (CID 79019167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).