1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid

C15H20O3 — CID 16769454

IUPAC1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CCCCC2)ccc1C
InChIInChI=1S/C15H20O3/c1-11-6-7-12(10-13(11)18-2)15(14(16)17)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyLTOQPEMOCRGVDY-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid

1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 16769454) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID16769454
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CCCCC2)ccc1C
InChIInChI=1S/C15H20O3/c1-11-6-7-12(10-13(11)18-2)15(14(16)17)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyLTOQPEMOCRGVDY-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
2-(3-methoxy-4-methylphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009437
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626
1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117405083
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 134547519
1-(3-methoxy-4-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117457835
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid (CID 16769454) is 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid is COc1cc(C2(C(=O)O)CCCCC2)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is LTOQPEMOCRGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-6-7-12(10-13(11)18-2)15(14(16)17)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 16769454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).