(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone

C16H22O3 — CID 116809969

IUPAC(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1CCC(C)CC1
InChIInChI=1S/C16H22O3/c1-11-7-9-12(10-8-11)16(17)15-13(18-2)5-4-6-14(15)19-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyXBUGGPNWVXFPIL-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.71
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone

(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone (PubChem CID 116809969) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone
PubChem CID116809969
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1CCC(C)CC1
InChIInChI=1S/C16H22O3/c1-11-7-9-12(10-8-11)16(17)15-13(18-2)5-4-6-14(15)19-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyXBUGGPNWVXFPIL-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
cyclopropyl-(2-methoxy-6-propylphenyl)methanone
CID 71021142
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
tert-butyl 3-(2,6-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941064
cyclopropyl-(2,4-dichloro-6-methoxyphenyl)methanone
CID 82554125
1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone
CID 63914428

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone (CID 116809969) is (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone is COc1cccc(OC)c1C(=O)C1CCC(C)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone?
The InChIKey is XBUGGPNWVXFPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-7-9-12(10-8-11)16(17)15-13(18-2)5-4-6-14(15)19-3/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone?
(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 116809969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).