1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid

C11H11FO3 — CID 117299943

IUPAC1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(F)cc(C2(C(=O)O)CC2)c1O
InChIInChI=1S/C11H11FO3/c1-6-4-7(12)5-8(9(6)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyKJCWRHVQDFZPQK-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.96
Rot. Bonds2

About 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid

1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117299943) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117299943
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(F)cc(C2(C(=O)O)CC2)c1O
InChIInChI=1S/C11H11FO3/c1-6-4-7(12)5-8(9(6)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyKJCWRHVQDFZPQK-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid (CID 117299943) is 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid is Cc1cc(F)cc(C2(C(=O)O)CC2)c1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is KJCWRHVQDFZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-6-4-7(12)5-8(9(6)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 210.20 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117299943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).