1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid

C12H14O4 — CID 117317663

IUPAC1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1c(O)ccc(C)c1C1(C(=O)O)CC1
InChIInChI=1S/C12H14O4/c1-7-3-4-8(13)10(16-2)9(7)12(5-6-12)11(14)15/h3-4,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyWXDWAUUJBOJRTK-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.83
Rot. Bonds3

About 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid

1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117317663) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117317663
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1c(O)ccc(C)c1C1(C(=O)O)CC1
InChIInChI=1S/C12H14O4/c1-7-3-4-8(13)10(16-2)9(7)12(5-6-12)11(14)15/h3-4,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyWXDWAUUJBOJRTK-UHFFFAOYSA-N
XLogP1.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117442725
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117410609
1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84781133
1-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117394902
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117389831
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117415227
1-(2-chloro-3,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789863
1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799157
1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 84790848

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid (CID 117317663) is 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid is COc1c(O)ccc(C)c1C1(C(=O)O)CC1.
What is the InChIKey of 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is WXDWAUUJBOJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7-3-4-8(13)10(16-2)9(7)12(5-6-12)11(14)15/h3-4,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid?
1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117317663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).