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

C13H16O3 — CID 82114339

IUPAC2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
SMILESCCOc1ccccc1C1CC1(C)C(=O)O
InChIInChI=1S/C13H16O3/c1-3-16-11-7-5-4-6-9(11)10-8-13(10,2)12(14)15/h4-7,10H,3,8H2,1-2H3,(H,14,15)
InChIKeyIRZLESYQTKKLPK-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.66
Rot. Bonds4

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

2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid (PubChem CID 82114339) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
PubChem CID82114339
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
SMILESCCOc1ccccc1C1CC1(C)C(=O)O
InChIInChI=1S/C13H16O3/c1-3-16-11-7-5-4-6-9(11)10-8-13(10,2)12(14)15/h4-7,10H,3,8H2,1-2H3,(H,14,15)
InChIKeyIRZLESYQTKKLPK-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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Related Compounds

2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114341
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359780
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
2-(2-ethoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82114526
1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82131439
diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate
CID 11302523
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017964
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid (CID 82114339) is 2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid is CCOc1ccccc1C1CC1(C)C(=O)O.
What is the InChIKey of 2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is IRZLESYQTKKLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-16-11-7-5-4-6-9(11)10-8-13(10,2)12(14)15/h4-7,10H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid?
2-(2-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-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 82114339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).