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

C13H16O3 — CID 134547519

IUPAC1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1cc(C2(C(=O)O)CC2)ccc1C
InChIInChI=1S/C13H16O3/c1-3-16-11-8-10(5-4-9(11)2)13(6-7-13)12(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyOVLSQABNHCNNLX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.51
Rot. Bonds4

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

1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 134547519) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID134547519
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1cc(C2(C(=O)O)CC2)ccc1C
InChIInChI=1S/C13H16O3/c1-3-16-11-8-10(5-4-9(11)2)13(6-7-13)12(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyOVLSQABNHCNNLX-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-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116989347
2-(3-methoxy-4-methylphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009437
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117472145
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 143872791
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
CID 117336681

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid (CID 134547519) is 1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid is CCOc1cc(C2(C(=O)O)CC2)ccc1C.
What is the InChIKey of 1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is OVLSQABNHCNNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-16-11-8-10(5-4-9(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-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
1-(3-ethoxy-4-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-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 134547519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).