2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone

C18H26O2 — CID 116751155

IUPAC2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone
SMILESCCOC(C(=O)c1cccc(CC)c1)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-3-14-9-8-12-16(13-14)17(19)18(20-4-2)15-10-6-5-7-11-15/h8-9,12-13,15,18H,3-7,10-11H2,1-2H3
InChIKeyYHJNCCJSSFDLTM-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.42
Rot. Bonds6

About 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone

2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone (PubChem CID 116751155) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone
PubChem CID116751155
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone
SMILESCCOC(C(=O)c1cccc(CC)c1)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-3-14-9-8-12-16(13-14)17(19)18(20-4-2)15-10-6-5-7-11-15/h8-9,12-13,15,18H,3-7,10-11H2,1-2H3
InChIKeyYHJNCCJSSFDLTM-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone?
The IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone (CID 116751155) is 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone is CCOC(C(=O)c1cccc(CC)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone?
The InChIKey is YHJNCCJSSFDLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-14-9-8-12-16(13-14)17(19)18(20-4-2)15-10-6-5-7-11-15/h8-9,12-13,15,18H,3-7,10-11H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone?
2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone has a molecular weight of 274.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone is sourced from PubChem (CID 116751155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).