2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid

C12H13ClO2 — CID 84789847

IUPAC2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(Cl)ccc1C1(CC(=O)O)CC1
InChIInChI=1S/C12H13ClO2/c1-8-6-9(13)2-3-10(8)12(4-5-12)7-11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyOOXOXTOFUIUWDS-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.15
Rot. Bonds3

About 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid

2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid (PubChem CID 84789847) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
PubChem CID84789847
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(Cl)ccc1C1(CC(=O)O)CC1
InChIInChI=1S/C12H13ClO2/c1-8-6-9(13)2-3-10(8)12(4-5-12)7-11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyOOXOXTOFUIUWDS-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
CID 84800621
2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389898
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
2-[1-(2-chloro-5-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389825
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
CID 117332749
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
2-[1-(7-methyl-1,3-benzodioxol-4-yl)cyclopropyl]acetic acid
CID 117340161

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid (CID 84789847) is 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid is Cc1cc(Cl)ccc1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is OOXOXTOFUIUWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-8-6-9(13)2-3-10(8)12(4-5-12)7-11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid?
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 224.69 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84789847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).