4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one

C16H20O3 — CID 116920294

IUPAC4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)C1CCC(=O)CC1
InChIInChI=1S/C16H20O3/c1-10-8-11(2)15(14(9-10)19-3)16(18)12-4-6-13(17)7-5-12/h8-9,12H,4-7H2,1-3H3
InChIKeyGRPWCQWFURREPU-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.25
Rot. Bonds3

About 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one

4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one (PubChem CID 116920294) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
PubChem CID116920294
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)C1CCC(=O)CC1
InChIInChI=1S/C16H20O3/c1-10-8-11(2)15(14(9-10)19-3)16(18)12-4-6-13(17)7-5-12/h8-9,12H,4-7H2,1-3H3
InChIKeyGRPWCQWFURREPU-UHFFFAOYSA-N
XLogP3.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone
CID 114241890
(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681762
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
CID 116920159
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679968
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone
CID 106680079
2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652786
cyclopropyl-(2,4-dichloro-6-methoxyphenyl)methanone
CID 82554125

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one?
The IUPAC name of 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one (CID 116920294) is 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one is COc1cc(C)cc(C)c1C(=O)C1CCC(=O)CC1.
What is the InChIKey of 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one?
The InChIKey is GRPWCQWFURREPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-10-8-11(2)15(14(9-10)19-3)16(18)12-4-6-13(17)7-5-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one?
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one has a molecular weight of 260.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one is sourced from PubChem (CID 116920294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).