4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid

C18H26O3 — CID 103434649

IUPAC4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2ccc(C)c(C)c2OC)C1
InChIInChI=1S/C18H26O3/c1-5-13-7-9-15(18(19)20)16(10-13)14-8-6-11(2)12(3)17(14)21-4/h6,8,13,15-16H,5,7,9-10H2,1-4H3,(H,19,20)
InChIKeyAFYFXRUWAQGUQZ-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.31
Rot. Bonds4

About 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid

4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 103434649) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid
PubChem CID103434649
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2ccc(C)c(C)c2OC)C1
InChIInChI=1S/C18H26O3/c1-5-13-7-9-15(18(19)20)16(10-13)14-8-6-11(2)12(3)17(14)21-4/h6,8,13,15-16H,5,7,9-10H2,1-4H3,(H,19,20)
InChIKeyAFYFXRUWAQGUQZ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid (CID 103434649) is 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(c2ccc(C)c(C)c2OC)C1.
What is the InChIKey of 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is AFYFXRUWAQGUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-5-13-7-9-15(18(19)20)16(10-13)14-8-6-11(2)12(3)17(14)21-4/h6,8,13,15-16H,5,7,9-10H2,1-4H3,(H,19,20).
What are the key properties of 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid?
4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 290.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103434649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).