1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone

C20H24O — CID 105105273

IUPAC1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
SMILESCC1CCC(C(=O)Cc2cccc3ccccc23)CC1C
InChIInChI=1S/C20H24O/c1-14-10-11-18(12-15(14)2)20(21)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,14-15,18H,10-13H2,1-2H3
InChIKeyUCHMIOILUASZQH-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.02
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone

1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone (PubChem CID 105105273) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
PubChem CID105105273
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
SMILESCC1CCC(C(=O)Cc2cccc3ccccc23)CC1C
InChIInChI=1S/C20H24O/c1-14-10-11-18(12-15(14)2)20(21)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,14-15,18H,10-13H2,1-2H3
InChIKeyUCHMIOILUASZQH-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone 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-(2-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 64738620
1-(3,5-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 105105139
1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
CID 61055472
1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 65393715
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-naphthalen-1-ylethanone
CID 171948945
cis-(1R,2S)-2-methyl-N'-(2-naphthalen-1-ylacetyl)cyclopropane-1-carbohydrazide
CID 42386223
1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one
CID 64739627
N-(3-methylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 114549688
2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one
CID 142761893
1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
CID 22247948
1-(3,4-dimethylcyclohexyl)but-3-en-1-one
CID 116659531
1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116560533

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone (CID 105105273) is 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone is CC1CCC(C(=O)Cc2cccc3ccccc23)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone?
The InChIKey is UCHMIOILUASZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-14-10-11-18(12-15(14)2)20(21)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,14-15,18H,10-13H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone?
1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone has a molecular weight of 280.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 105105273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).