1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid

C13H16O4 — CID 82496751

IUPAC1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C)c(C2(C(=O)O)CC2)cc1OC
InChIInChI=1S/C13H16O4/c1-8-6-10(16-2)11(17-3)7-9(8)13(4-5-13)12(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyIQLKEWJQYVTFKO-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.13
Rot. Bonds4

About 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid

1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 82496751) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID82496751
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C)c(C2(C(=O)O)CC2)cc1OC
InChIInChI=1S/C13H16O4/c1-8-6-10(16-2)11(17-3)7-9(8)13(4-5-13)12(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyIQLKEWJQYVTFKO-UHFFFAOYSA-N
XLogP2.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481809
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117344803
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117469278
1-(4,5-dimethoxy-2-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117484073
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
1-(4-fluoro-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799155
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]cyclopropane-1-carboxylic acid
CID 117388480
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117472145
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid (CID 82496751) is 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid is COc1cc(C)c(C2(C(=O)O)CC2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is IQLKEWJQYVTFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8-6-10(16-2)11(17-3)7-9(8)13(4-5-13)12(14)15/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid?
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82496751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).