1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid

C11H11FO3 — CID 84781133

IUPAC1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(O)c(C2(C(=O)O)CC2)c1F
InChIInChI=1S/C11H11FO3/c1-6-2-3-7(13)8(9(6)12)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyKTJINTADELITTG-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid

1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 84781133) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID84781133
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(O)c(C2(C(=O)O)CC2)c1F
InChIInChI=1S/C11H11FO3/c1-6-2-3-7(13)8(9(6)12)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyKTJINTADELITTG-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

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Related Compounds

1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 84790848
1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117321649
1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117348923
1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117317663
3-fluoro-2-(1-hydroxycyclopropyl)-4-methylphenol
CID 84768678
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117469962
1-(2-chloro-3,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789863
1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799157
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117336247
1-(2,5-difluoro-3,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117388765

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid (CID 84781133) is 1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid is Cc1ccc(O)c(C2(C(=O)O)CC2)c1F.
What is the InChIKey of 1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is KTJINTADELITTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-6-2-3-7(13)8(9(6)12)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
1-(2-fluoro-6-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-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84781133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).