1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid

C13H16O3 — CID 84787409

IUPAC1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1cccc(C)c1C1(C(=O)O)CCC1
InChIInChI=1S/C13H16O3/c1-9-5-3-6-10(16-2)11(9)13(12(14)15)7-4-8-13/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyLBYZSFAKZUTNGS-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.51
Rot. Bonds3

About 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid

1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 84787409) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
PubChem CID84787409
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1cccc(C)c1C1(C(=O)O)CCC1
InChIInChI=1S/C13H16O3/c1-9-5-3-6-10(16-2)11(9)13(12(14)15)7-4-8-13/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyLBYZSFAKZUTNGS-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
1-(2-cyclopentyloxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117438576
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid
CID 117410510
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117415227
1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344763
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117348893
1-[2-(difluoromethyl)-6-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428762
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 117378944

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid (CID 84787409) is 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid is COc1cccc(C)c1C1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is LBYZSFAKZUTNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9-5-3-6-10(16-2)11(9)13(12(14)15)7-4-8-13/h3,5-6H,4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 84787409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).