(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone

C16H22O2 — CID 62795415

IUPAC(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CCCC(C)C1
InChIInChI=1S/C16H22O2/c1-11-5-4-6-13(9-11)16(17)14-10-12(2)7-8-15(14)18-3/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyDWFDEBZYLBPGDI-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.01
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone

(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone (PubChem CID 62795415) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
PubChem CID62795415
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CCCC(C)C1
InChIInChI=1S/C16H22O2/c1-11-5-4-6-13(9-11)16(17)14-10-12(2)7-8-15(14)18-3/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyDWFDEBZYLBPGDI-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391912
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone
CID 65423286
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
(3-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanone
CID 62964101
(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone
CID 114976383
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone (CID 62795415) is (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone is COc1ccc(C)cc1C(=O)C1CCCC(C)C1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone?
The InChIKey is DWFDEBZYLBPGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-5-4-6-13(9-11)16(17)14-10-12(2)7-8-15(14)18-3/h7-8,10-11,13H,4-6,9H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone?
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 62795415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).