2-(3-chlorophenyl)-2-methylpropanoic acid

C10H11ClO2 — CID 15582644

IUPAC2-(3-chlorophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13)
InChIKeySFXNGYPSARMRKU-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.70
Rot. Bonds2

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

2-(3-chlorophenyl)-2-methylpropanoic acid (PubChem CID 15582644) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methylpropanoic acid
PubChem CID15582644
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-(3-chlorophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13)
InChIKeySFXNGYPSARMRKU-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
3-(2-carboxypropan-2-yl)benzoic acid
CID 19965411
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
3-(3-chlorophenyl)-3-hydroxy-2,2-dimethylpentanoic acid
CID 62396288
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
(3S,4S)-1-[2-(3-chlorophenyl)-2-methylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951924
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
2-(3-cyanophenyl)-2-methylpropanoic acid
CID 22343997
(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 165352758
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-methylpropanoic acid (CID 15582644) is 2-(3-chlorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methylpropanoic acid?
The InChIKey is SFXNGYPSARMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(3-chlorophenyl)-2-methylpropanoic acid?
2-(3-chlorophenyl)-2-methylpropanoic acid has a molecular weight of 198.65 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 15582644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).