2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid

C11H11ClO2 — CID 68636272

IUPAC2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cccc(C2CC2C(=O)O)c1Cl
InChIInChI=1S/C11H11ClO2/c1-6-3-2-4-7(10(6)12)8-5-9(8)11(13)14/h2-4,8-9H,5H2,1H3,(H,13,14)
InChIKeyQTUUWSQJOZGSMQ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid

2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 68636272) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID68636272
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cccc(C2CC2C(=O)O)c1Cl
InChIInChI=1S/C11H11ClO2/c1-6-3-2-4-7(10(6)12)8-5-9(8)11(13)14/h2-4,8-9H,5H2,1H3,(H,13,14)
InChIKeyQTUUWSQJOZGSMQ-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 81008692
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone
CID 130847822
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
trans-(1S,2S)-2-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 96658212
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid (CID 68636272) is 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid is Cc1cccc(C2CC2C(=O)O)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is QTUUWSQJOZGSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-6-3-2-4-7(10(6)12)8-5-9(8)11(13)14/h2-4,8-9H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid?
2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 210.66 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 68636272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).