1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid

C13H16O3 — CID 82286246

IUPAC1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(C2(C(=O)O)CC2)cc1C
InChIInChI=1S/C13H16O3/c1-3-16-11-5-4-10(8-9(11)2)13(6-7-13)12(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyCZPICHPILFVUEI-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid

1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 82286246) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID82286246
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(C2(C(=O)O)CC2)cc1C
InChIInChI=1S/C13H16O3/c1-3-16-11-5-4-10(8-9(11)2)13(6-7-13)12(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyCZPICHPILFVUEI-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 134547519
1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid
CID 117373867
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116989347
2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
CID 116874334
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
CID 116872058
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
1-(4-ethoxy-3-methylphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 116855436
methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate
CID 116842967
(4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921953
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid (CID 82286246) is 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid is CCOc1ccc(C2(C(=O)O)CC2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is CZPICHPILFVUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-16-11-5-4-10(8-9(11)2)13(6-7-13)12(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid?
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82286246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).