3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid

C11H13ClO2 — CID 83703696

IUPAC3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
SMILESCc1cc(CC(C)C(=O)O)ccc1Cl
InChIInChI=1S/C11H13ClO2/c1-7-5-9(3-4-10(7)12)6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H,13,14)
InChIKeyZLEUHRIXAMNQIU-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.91
Rot. Bonds3

About 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid

3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid (PubChem CID 83703696) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
PubChem CID83703696
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
SMILESCc1cc(CC(C)C(=O)O)ccc1Cl
InChIInChI=1S/C11H13ClO2/c1-7-5-9(3-4-10(7)12)6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H,13,14)
InChIKeyZLEUHRIXAMNQIU-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
(2S)-3-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
CID 146013512
3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid
CID 83745272
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
2-methyl-3-(3-methyl-4-methylsulfonylphenyl)propanoic acid
CID 117394359
(2S)-2-[(4-chloro-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 120510685
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
2-methyl-3-(4-methyl-3-methylsulfonylphenyl)propanoic acid
CID 117394356
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid (CID 83703696) is 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid is Cc1cc(CC(C)C(=O)O)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid?
The InChIKey is ZLEUHRIXAMNQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-7-5-9(3-4-10(7)12)6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid?
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid has a molecular weight of 212.68 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 83703696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).