cyclohexyl-(2,3-dimethoxyphenyl)methanone

C15H20O3 — CID 105076806

IUPACcyclohexyl-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCCC2)c1OC
InChIInChI=1S/C15H20O3/c1-17-13-10-6-9-12(15(13)18-2)14(16)11-7-4-3-5-8-11/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyJWTAIBLGNGEUKO-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.47
Rot. Bonds4

About cyclohexyl-(2,3-dimethoxyphenyl)methanone

cyclohexyl-(2,3-dimethoxyphenyl)methanone (PubChem CID 105076806) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is cyclohexyl-(2,3-dimethoxyphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2,3-dimethoxyphenyl)methanone
PubChem CID105076806
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namecyclohexyl-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCCC2)c1OC
InChIInChI=1S/C15H20O3/c1-17-13-10-6-9-12(15(13)18-2)14(16)11-7-4-3-5-8-11/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyJWTAIBLGNGEUKO-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-(2,3-dimethoxyphenyl)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

cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone
CID 82296372
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 46781364
N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
CID 134010441
3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
CID 10016783
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
cyclopentyl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432869
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424
cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
CID 82277622

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,3-dimethoxyphenyl)methanone?
The IUPAC name of cyclohexyl-(2,3-dimethoxyphenyl)methanone (CID 105076806) is cyclohexyl-(2,3-dimethoxyphenyl)methanone.
What is the SMILES notation for cyclohexyl-(2,3-dimethoxyphenyl)methanone?
The canonical SMILES for cyclohexyl-(2,3-dimethoxyphenyl)methanone is COc1cccc(C(=O)C2CCCCC2)c1OC.
What is the InChIKey of cyclohexyl-(2,3-dimethoxyphenyl)methanone?
The InChIKey is JWTAIBLGNGEUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-13-10-6-9-12(15(13)18-2)14(16)11-7-4-3-5-8-11/h6,9-11H,3-5,7-8H2,1-2H3.
What are the key properties of cyclohexyl-(2,3-dimethoxyphenyl)methanone?
cyclohexyl-(2,3-dimethoxyphenyl)methanone has a molecular weight of 248.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,3-dimethoxyphenyl)methanone is sourced from PubChem (CID 105076806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).