2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid

C22H22F2O6 — CID 158316657

IUPAC2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2CC2C(=O)O)c(F)c1.COc1ccc(C2CC2C(=O)O)c(F)c1
InChIInChI=1S/2C11H11FO3/c2*1-15-6-2-3-7(10(12)4-6)8-5-9(8)11(13)14/h2*2-4,8-9H,5H2,1H3,(H,13,14)
InChIKeyGOILNVKSKGOLTQ-UHFFFAOYSA-N
MW420.41 g/mol
LogP4.04
Rot. Bonds6

About 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid

2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 158316657) has the molecular formula C22H22F2O6 and a molecular weight of 420.41 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID158316657
Molecular FormulaC22H22F2O6
Molecular Weight420.41 g/mol
Exact Mass420.14
IUPAC Name2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2CC2C(=O)O)c(F)c1.COc1ccc(C2CC2C(=O)O)c(F)c1
InChIInChI=1S/2C11H11FO3/c2*1-15-6-2-3-7(10(12)4-6)8-5-9(8)11(13)14/h2*2-4,8-9H,5H2,1H3,(H,13,14)
InChIKeyGOILNVKSKGOLTQ-UHFFFAOYSA-N
XLogP4.04
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 67289393
(3S,4R)-1-tert-butyl-4-(2-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 59655941
(3S,4R)-1-tert-butyl-4-(2-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 139017374
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
trans-(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299452
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-sulfonyl chloride
CID 87574652
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
trans-(1S,2S)-2-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 96658212
[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid
CID 134347497

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 158316657) is 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(C2CC2C(=O)O)c(F)c1.COc1ccc(C2CC2C(=O)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is GOILNVKSKGOLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11FO3/c2*1-15-6-2-3-7(10(12)4-6)8-5-9(8)11(13)14/h2*2-4,8-9H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 420.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 158316657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).