(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone

C17H24O3 — CID 114975483

IUPAC(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2CCC(C)C(C)C2)c1
InChIInChI=1S/C17H24O3/c1-11-5-6-13(9-12(11)2)17(18)15-10-14(19-3)7-8-16(15)20-4/h7-8,10-13H,5-6,9H2,1-4H3
InChIKeyHAHLHSGAORDNEN-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.96
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone

(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone (PubChem CID 114975483) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
PubChem CID114975483
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2CCC(C)C(C)C2)c1
InChIInChI=1S/C17H24O3/c1-11-5-6-13(9-12(11)2)17(18)15-10-14(19-3)7-8-16(15)20-4/h7-8,10-13H,5-6,9H2,1-4H3
InChIKeyHAHLHSGAORDNEN-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
CID 61364147
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 64739429

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone (CID 114975483) is (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone is COc1ccc(OC)c(C(=O)C2CCC(C)C(C)C2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone?
The InChIKey is HAHLHSGAORDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-11-5-6-13(9-12(11)2)17(18)15-10-14(19-3)7-8-16(15)20-4/h7-8,10-13H,5-6,9H2,1-4H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone?
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 114975483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).