(3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone

C16H22O2 — CID 64729483

IUPAC(3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H22O2/c1-11-8-12(2)10-14(9-11)16(17)13-4-6-15(18-3)7-5-13/h4-7,11-12,14H,8-10H2,1-3H3
InChIKeyCWCCLPHKPUAGOW-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.95
Rot. Bonds3

About (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone

(3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone (PubChem CID 64729483) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone
PubChem CID64729483
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H22O2/c1-11-8-12(2)10-14(9-11)16(17)13-4-6-15(18-3)7-5-13/h4-7,11-12,14H,8-10H2,1-3H3
InChIKeyCWCCLPHKPUAGOW-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 114975308
(2-bromo-5-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanone
CID 105105211
trans-(1S,2S)-2-(4-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 36688340
(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 55500827
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
CID 43160491
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
9H-fluoren-9-ylmethyl 3-(4-methoxybenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944193
(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550
1-(aminomethyl)-4-(4-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 66719016
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone (CID 64729483) is (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CC(C)CC(C)C2)cc1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone?
The InChIKey is CWCCLPHKPUAGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-8-12(2)10-14(9-11)16(17)13-4-6-15(18-3)7-5-13/h4-7,11-12,14H,8-10H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone?
(3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 64729483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).