4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one

C15H18O3 — CID 116920244

IUPAC4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
SMILESCOc1ccc(C(=O)C2CCC(=O)CC2)cc1C
InChIInChI=1S/C15H18O3/c1-10-9-12(5-8-14(10)18-2)15(17)11-3-6-13(16)7-4-11/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyIDLWHESDQXPBMB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.95
Rot. Bonds3

About 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one

4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one (PubChem CID 116920244) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
PubChem CID116920244
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
SMILESCOc1ccc(C(=O)C2CCC(=O)CC2)cc1C
InChIInChI=1S/C15H18O3/c1-10-9-12(5-8-14(10)18-2)15(17)11-3-6-13(16)7-4-11/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyIDLWHESDQXPBMB-UHFFFAOYSA-N
XLogP2.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one 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

(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
CID 106892565
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 171947236
ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
CID 71226501
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
CID 79638807
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one?
The IUPAC name of 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one (CID 116920244) is 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one is COc1ccc(C(=O)C2CCC(=O)CC2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one?
The InChIKey is IDLWHESDQXPBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10-9-12(5-8-14(10)18-2)15(17)11-3-6-13(16)7-4-11/h5,8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one?
4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one is sourced from PubChem (CID 116920244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).