2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone

C18H26O — CID 65424823

IUPAC2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
SMILESCCCC1CCC(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C18H26O/c1-3-5-15-8-10-17(11-9-15)18(19)13-16-7-4-6-14(2)12-16/h4,6-7,12,15,17H,3,5,8-11,13H2,1-2H3
InChIKeyRPWWAYAUROPSQM-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.71
Rot. Bonds5

About 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone

2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone (PubChem CID 65424823) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
PubChem CID65424823
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
SMILESCCCC1CCC(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C18H26O/c1-3-5-15-8-10-17(11-9-15)18(19)13-16-7-4-6-14(2)12-16/h4,6-7,12,15,17H,3,5,8-11,13H2,1-2H3
InChIKeyRPWWAYAUROPSQM-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(4-propylcyclohexyl)ethanone
CID 107883999
2-(3-bromo-4-methoxyphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65423096
1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone
CID 116577277
1-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)ethanone
CID 64904976
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
CID 65423483
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
CID 63913034
2-(3-aminophenyl)-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone
CID 58145405
1-(2-adamantyl)-2-(3-methylphenyl)ethanone
CID 81099593
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone (CID 65424823) is 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone is CCCC1CCC(C(=O)Cc2cccc(C)c2)CC1.
What is the InChIKey of 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone?
The InChIKey is RPWWAYAUROPSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-3-5-15-8-10-17(11-9-15)18(19)13-16-7-4-6-14(2)12-16/h4,6-7,12,15,17H,3,5,8-11,13H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone?
2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone has a molecular weight of 258.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone is sourced from PubChem (CID 65424823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).