1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid

C15H20O4 — CID 116842907

IUPAC1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2C)c(OC)c(C)c1C
InChIInChI=1S/C15H20O4/c1-8-7-15(8,14(16)17)11-6-12(18-4)9(2)10(3)13(11)19-5/h6,8H,7H2,1-5H3,(H,16,17)
InChIKeyCEPRFLMALOOGMI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.68
Rot. Bonds4

About 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid

1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 116842907) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID116842907
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2C)c(OC)c(C)c1C
InChIInChI=1S/C15H20O4/c1-8-7-15(8,14(16)17)11-6-12(18-4)9(2)10(3)13(11)19-5/h6,8H,7H2,1-5H3,(H,16,17)
InChIKeyCEPRFLMALOOGMI-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117344803
methyl 1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964044
3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol
CID 116873054
1-(2-amino-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid
CID 106702438
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate
CID 116843031
1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679423
1-(4-fluoro-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799155
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842398
1-methyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82122753
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid (CID 116842907) is 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid is COc1cc(C2(C(=O)O)CC2C)c(OC)c(C)c1C.
What is the InChIKey of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is CEPRFLMALOOGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-7-15(8,14(16)17)11-6-12(18-4)9(2)10(3)13(11)19-5/h6,8H,7H2,1-5H3,(H,16,17).
What are the key properties of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid?
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 116842907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).