1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone

C18H26O2 — CID 70255424

IUPAC1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCOC1CCC(C(=O)Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H26O2/c1-12-9-13(2)17(14(3)10-12)11-18(19)15-5-7-16(20-4)8-6-15/h9-10,15-16H,5-8,11H2,1-4H3
InChIKeyAHCBHUNGQCXOJK-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone

1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 70255424) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID70255424
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCOC1CCC(C(=O)Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H26O2/c1-12-9-13(2)17(14(3)10-12)11-18(19)15-5-7-16(20-4)8-6-15/h9-10,15-16H,5-8,11H2,1-4H3
InChIKeyAHCBHUNGQCXOJK-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 105085826
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
CID 63351672
1-(3-bicyclo[3.1.0]hexanyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966066
methyl 2-[4-methoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
CID 22124248
methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 15767417
methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate
CID 67669498
methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 15767416
2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one
CID 70255999
methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
CID 22124247
1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one
CID 24726531
carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70256242
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 70255424) is 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone is COC1CCC(C(=O)Cc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is AHCBHUNGQCXOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-12-9-13(2)17(14(3)10-12)11-18(19)15-5-7-16(20-4)8-6-15/h9-10,15-16H,5-8,11H2,1-4H3.
What are the key properties of 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 274.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 70255424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).