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

C11H11FO4 — CID 84790848

IUPAC1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(O)c(C2(C(=O)O)CC2)c1F
InChIInChI=1S/C11H11FO4/c1-16-7-3-2-6(13)8(9(7)12)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyLIANDVMBULCZEJ-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.66
Rot. Bonds3

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

1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 84790848) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID84790848
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(O)c(C2(C(=O)O)CC2)c1F
InChIInChI=1S/C11H11FO4/c1-16-7-3-2-6(13)8(9(7)12)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyLIANDVMBULCZEJ-UHFFFAOYSA-N
XLogP1.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84781133
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652
1-(6-chloro-2-fluoro-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117462402
1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117462781
1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117466659
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 143872791
1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117317663
1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352800
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394900
1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117424298

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 84790848) is 1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(O)c(C2(C(=O)O)CC2)c1F.
What is the InChIKey of 1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is LIANDVMBULCZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-16-7-3-2-6(13)8(9(7)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-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 226.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84790848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).