2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid

C12H13ClO3 — CID 84800624

IUPAC2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
SMILESCc1ccc(Cl)c(C2(CC(=O)O)CC2)c1O
InChIInChI=1S/C12H13ClO3/c1-7-2-3-8(13)10(11(7)16)12(4-5-12)6-9(14)15/h2-3,16H,4-6H2,1H3,(H,14,15)
InChIKeyOITITYWVBIMHMB-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid

2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid (PubChem CID 84800624) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
PubChem CID84800624
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
SMILESCc1ccc(Cl)c(C2(CC(=O)O)CC2)c1O
InChIInChI=1S/C12H13ClO3/c1-7-2-3-8(13)10(11(7)16)12(4-5-12)6-9(14)15/h2-3,16H,4-6H2,1H3,(H,14,15)
InChIKeyOITITYWVBIMHMB-UHFFFAOYSA-N
XLogP2.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid
CID 117400294
2-[1-(5-chloro-1,3-benzodioxol-4-yl)cyclopropyl]acetic acid
CID 117389740
2-[1-(4-bromo-2-hydroxy-3,6-dimethylphenyl)cyclopropyl]acetic acid
CID 84816126
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
CID 84800621
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid
CID 84790843
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127
2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
CID 117332749

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid (CID 84800624) is 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid is Cc1ccc(Cl)c(C2(CC(=O)O)CC2)c1O.
What is the InChIKey of 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is OITITYWVBIMHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-7-2-3-8(13)10(11(7)16)12(4-5-12)6-9(14)15/h2-3,16H,4-6H2,1H3,(H,14,15).
What are the key properties of 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid?
2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 240.69 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84800624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).