3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one

C15H20O2 — CID 139337932

IUPAC3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one
SMILESCCc1ccc(C2CCCC(=O)C2)c(OC)c1
InChIInChI=1S/C15H20O2/c1-3-11-7-8-14(15(9-11)17-2)12-5-4-6-13(16)10-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyAAGMMFLZVRNQMO-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.48
Rot. Bonds3

About 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one

3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one (PubChem CID 139337932) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one
PubChem CID139337932
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one
SMILESCCc1ccc(C2CCCC(=O)C2)c(OC)c1
InChIInChI=1S/C15H20O2/c1-3-11-7-8-14(15(9-11)17-2)12-5-4-6-13(16)10-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyAAGMMFLZVRNQMO-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one?
The IUPAC name of 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one (CID 139337932) is 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one is CCc1ccc(C2CCCC(=O)C2)c(OC)c1.
What is the InChIKey of 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one?
The InChIKey is AAGMMFLZVRNQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-11-7-8-14(15(9-11)17-2)12-5-4-6-13(16)10-12/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one?
3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 139337932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).