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

C10H11ClO2 — CID 40999440

IUPAC(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
SMILESC[C@H](Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyCBKRIEHLKJRGGM-SSDOTTSWSA-N
MW198.65 g/mol
LogP2.60
Rot. Bonds3

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

(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid (PubChem CID 40999440) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (2R)-3-(2-chlorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
PubChem CID40999440
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
SMILESC[C@H](Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyCBKRIEHLKJRGGM-SSDOTTSWSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015
3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
CID 82618683
2-[(2-chlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83138130
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647
(3S,5S)-3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733569
3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733570
3-bromo-4-(2-chlorophenyl)butan-2-one
CID 62395500
3-[(2-chlorophenyl)methyl]-4-oxopentanoic acid
CID 11207203
2-[(2-chlorophenyl)methoxy]propanoic acid
CID 24699510
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
CID 115006023
3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
CID 117342727
(2R,3R)-3-amino-4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95383619

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-chlorophenyl)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(2-chlorophenyl)-2-methylpropanoic acid (CID 40999440) is (2R)-3-(2-chlorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(2-chlorophenyl)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(2-chlorophenyl)-2-methylpropanoic acid is C[C@H](Cc1ccccc1Cl)C(=O)O.
What is the InChIKey of (2R)-3-(2-chlorophenyl)-2-methylpropanoic acid?
The InChIKey is CBKRIEHLKJRGGM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-3-(2-chlorophenyl)-2-methylpropanoic acid?
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid has a molecular weight of 198.65 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-chlorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 40999440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).