1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one

C18H26O2 — CID 116751104

IUPAC1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1c(C)cccc1C)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-13-8-7-9-14(2)16(13)12-17(19)18(20-3)15-10-5-4-6-11-15/h7-9,15,18H,4-6,10-12H2,1-3H3
InChIKeyGGCIEPPBBSCKIT-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.01
Rot. Bonds5

About 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one

1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one (PubChem CID 116751104) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one
PubChem CID116751104
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1c(C)cccc1C)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-13-8-7-9-14(2)16(13)12-17(19)18(20-3)15-10-5-4-6-11-15/h7-9,15,18H,4-6,10-12H2,1-3H3
InChIKeyGGCIEPPBBSCKIT-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
CID 114931443
1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
CID 116750876
1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
1-cyclopropyl-3-(2,6-dimethylphenyl)-1-hydroxypropan-2-one
CID 103455788
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116750878
3-(4-bromothiophen-2-yl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116751115
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
CID 114347373
1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792473
1-cyclohexyl-1-methoxypent-4-en-2-one
CID 116750869
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
CID 107308047

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one?
The IUPAC name of 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one (CID 116751104) is 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one is COC(C(=O)Cc1c(C)cccc1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one?
The InChIKey is GGCIEPPBBSCKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-8-7-9-14(2)16(13)12-17(19)18(20-3)15-10-5-4-6-11-15/h7-9,15,18H,4-6,10-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one?
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one has a molecular weight of 274.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one is sourced from PubChem (CID 116751104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).