1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid

C17H24O4 — CID 117472145

IUPAC1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCCOc1cc(C2(C(=O)O)CCCCC2)c(OC)cc1C
InChIInChI=1S/C17H24O4/c1-4-21-14-11-13(15(20-3)10-12(14)2)17(16(18)19)8-6-5-7-9-17/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyVVBNYYWKFMOUQI-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.69
Rot. Bonds5

About 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid

1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117472145) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117472145
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCCOc1cc(C2(C(=O)O)CCCCC2)c(OC)cc1C
InChIInChI=1S/C17H24O4/c1-4-21-14-11-13(15(20-3)10-12(14)2)17(16(18)19)8-6-5-7-9-17/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyVVBNYYWKFMOUQI-UHFFFAOYSA-N
XLogP3.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117469278
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
CID 117343241
1-[4-(difluoromethyl)-2,5-dimethoxyphenyl]cyclobutane-1-carboxylic acid
CID 117461580
1-(5-bromo-4-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481809
1-(4-bromo-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498389
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid (CID 117472145) is 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid is CCOc1cc(C2(C(=O)O)CCCCC2)c(OC)cc1C.
What is the InChIKey of 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is VVBNYYWKFMOUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-21-14-11-13(15(20-3)10-12(14)2)17(16(18)19)8-6-5-7-9-17/h10-11H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117472145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).