2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid

C12H13FO3 — CID 82114871

IUPAC2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(F)cc1C1(C)CC1C(=O)O
InChIInChI=1S/C12H13FO3/c1-12(6-9(12)11(14)15)8-5-7(13)3-4-10(8)16-2/h3-5,9H,6H2,1-2H3,(H,14,15)
InChIKeyMRIIXENWEDZORS-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.20
Rot. Bonds3

About 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid

2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 82114871) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID82114871
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(F)cc1C1(C)CC1C(=O)O
InChIInChI=1S/C12H13FO3/c1-12(6-9(12)11(14)15)8-5-7(13)3-4-10(8)16-2/h3-5,9H,6H2,1-2H3,(H,14,15)
InChIKeyMRIIXENWEDZORS-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 94256560
methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842814
trans-(1S,3S)-3-(4-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178197173
cis-(1S,3R)-3-[(5-fluoro-2-methoxyphenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066120
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62387826
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82088194
1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 82770078
2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 62388315

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid (CID 82114871) is 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid is COc1ccc(F)cc1C1(C)CC1C(=O)O.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is MRIIXENWEDZORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-12(6-9(12)11(14)15)8-5-7(13)3-4-10(8)16-2/h3-5,9H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid?
2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 82114871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).