3-(2-chlorophenyl)-2-methylbutanoic acid

C11H13ClO2 — CID 81008605

IUPAC3-(2-chlorophenyl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1ccccc1Cl
InChIInChI=1S/C11H13ClO2/c1-7(8(2)11(13)14)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,13,14)
InChIKeyWQGSXFUVZRRGLX-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.16
Rot. Bonds3

About 3-(2-chlorophenyl)-2-methylbutanoic acid

3-(2-chlorophenyl)-2-methylbutanoic acid (PubChem CID 81008605) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-methylbutanoic acid
PubChem CID81008605
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name3-(2-chlorophenyl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1ccccc1Cl
InChIInChI=1S/C11H13ClO2/c1-7(8(2)11(13)14)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,13,14)
InChIKeyWQGSXFUVZRRGLX-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid
CID 105396237
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772
2-(2-chlorophenyl)-4-methylpentanoic acid
CID 79019167
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11846439
2-methyl-3-phenylbutanoic acid
CID 29759
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 66206959
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
3-(2-chlorophenyl)butanoic acid
CID 54775987
2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid
CID 150363705

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-methylbutanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-2-methylbutanoic acid (CID 81008605) is 3-(2-chlorophenyl)-2-methylbutanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-2-methylbutanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-2-methylbutanoic acid is CC(C(=O)O)C(C)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-methylbutanoic acid?
The InChIKey is WQGSXFUVZRRGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-7(8(2)11(13)14)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,13,14).
What are the key properties of 3-(2-chlorophenyl)-2-methylbutanoic acid?
3-(2-chlorophenyl)-2-methylbutanoic acid has a molecular weight of 212.68 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-methylbutanoic acid is sourced from PubChem (CID 81008605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).