1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid

C18H26O3 — CID 117469278

IUPAC1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)c(C2(C(=O)O)CCCCC2)cc1C(C)C
InChIInChI=1S/C18H26O3/c1-12(2)14-11-15(13(3)10-16(14)21-4)18(17(19)20)8-6-5-7-9-18/h10-12H,5-9H2,1-4H3,(H,19,20)
InChIKeyOCVUUKKLXGYGML-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.41
Rot. Bonds4

About 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117469278) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117469278
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)c(C2(C(=O)O)CCCCC2)cc1C(C)C
InChIInChI=1S/C18H26O3/c1-12(2)14-11-15(13(3)10-16(14)21-4)18(17(19)20)8-6-5-7-9-18/h10-12H,5-9H2,1-4H3,(H,19,20)
InChIKeyOCVUUKKLXGYGML-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
1-(5-bromo-4-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481809
1-[3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]ethanone
CID 116873715
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117472145
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117340569
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446153
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117442725
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (CID 117469278) is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is COc1cc(C)c(C2(C(=O)O)CCCCC2)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is OCVUUKKLXGYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-12(2)14-11-15(13(3)10-16(14)21-4)18(17(19)20)8-6-5-7-9-18/h10-12H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 290.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117469278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).