2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid

C13H16O3 — CID 82114341

IUPAC2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
SMILESCCOc1ccc(C2CC2(C)C(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-3-16-10-6-4-9(5-7-10)11-8-13(11,2)12(14)15/h4-7,11H,3,8H2,1-2H3,(H,14,15)
InChIKeyFKDVPUATYZHECG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid

2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid (PubChem CID 82114341) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
PubChem CID82114341
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
SMILESCCOc1ccc(C2CC2(C)C(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-3-16-10-6-4-9(5-7-10)11-8-13(11,2)12(14)15/h4-7,11H,3,8H2,1-2H3,(H,14,15)
InChIKeyFKDVPUATYZHECG-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid (CID 82114341) is 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid is CCOc1ccc(C2CC2(C)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is FKDVPUATYZHECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-16-10-6-4-9(5-7-10)11-8-13(11,2)12(14)15/h4-7,11H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid?
2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 82114341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).