2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one

C17H24OS — CID 79227583

IUPAC2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CCSc2ccccc2)C1
InChIInChI=1S/C17H24OS/c1-2-6-14-9-10-17(18)15(13-14)11-12-19-16-7-4-3-5-8-16/h3-5,7-8,14-15H,2,6,9-13H2,1H3
InChIKeyAHZLPBMBQZERDQ-UHFFFAOYSA-N
MW276.44 g/mol
LogP4.95
Rot. Bonds6

About 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one

2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one (PubChem CID 79227583) has the molecular formula C17H24OS and a molecular weight of 276.44 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one
PubChem CID79227583
Molecular FormulaC17H24OS
Molecular Weight276.44 g/mol
Exact Mass276.15
IUPAC Name2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CCSc2ccccc2)C1
InChIInChI=1S/C17H24OS/c1-2-6-14-9-10-17(18)15(13-14)11-12-19-16-7-4-3-5-8-16/h3-5,7-8,14-15H,2,6,9-13H2,1H3
InChIKeyAHZLPBMBQZERDQ-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(2-phenylsulfanylethyl)cyclohexan-1-one
CID 79227739
2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 62612678
2-(3,3-dimethylbutyl)-4-propylcyclohexan-1-one
CID 63399562
4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one
CID 79417419
2-[2-(3-bromophenoxy)ethyl]-4-propylcyclohexan-1-one
CID 63399217
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one
CID 55186341
4-(2-butoxyethyl)-2-ethylcyclohexan-1-one
CID 70645264
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one
CID 104792635
3-(2-phenylsulfanylethyl)cycloheptan-1-amine
CID 79223679
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612514
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62613397

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one?
The IUPAC name of 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one (CID 79227583) is 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one?
The canonical SMILES for 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CCSc2ccccc2)C1.
What is the InChIKey of 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one?
The InChIKey is AHZLPBMBQZERDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OS/c1-2-6-14-9-10-17(18)15(13-14)11-12-19-16-7-4-3-5-8-16/h3-5,7-8,14-15H,2,6,9-13H2,1H3.
What are the key properties of 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one?
2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one has a molecular weight of 276.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one is sourced from PubChem (CID 79227583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).