1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone

C18H26O2 — CID 65391197

IUPAC1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CCC(C)(C)CC1
InChIInChI=1S/C18H26O2/c1-13-5-6-17(20-4)15(11-13)12-16(19)14-7-9-18(2,3)10-8-14/h5-6,11,14H,7-10,12H2,1-4H3
InChIKeyQGCLGDVGFNNWEK-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.33
Rot. Bonds4

About 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone

1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 65391197) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID65391197
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CCC(C)(C)CC1
InChIInChI=1S/C18H26O2/c1-13-5-6-17(20-4)15(11-13)12-16(19)14-7-9-18(2,3)10-8-14/h5-6,11,14H,7-10,12H2,1-4H3
InChIKeyQGCLGDVGFNNWEK-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114965714
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312
4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 63406908
2-(2-methoxy-5-methylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanone
CID 115385766
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 65391424
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79968379

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone (CID 65391197) is 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is QGCLGDVGFNNWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-5-6-17(20-4)15(11-13)12-16(19)14-7-9-18(2,3)10-8-14/h5-6,11,14H,7-10,12H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone?
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 274.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 65391197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).