1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one

C17H24O2S — CID 62722982

IUPAC1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)SC2CCCC(C)C2)cc1
InChIInChI=1S/C17H24O2S/c1-12-5-4-6-16(11-12)20-13(2)17(18)14-7-9-15(19-3)10-8-14/h7-10,12-13,16H,4-6,11H2,1-3H3
InChIKeyGZAXVNBZBYDUPT-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.58
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one

1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one (PubChem CID 62722982) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one
PubChem CID62722982
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)SC2CCCC(C)C2)cc1
InChIInChI=1S/C17H24O2S/c1-12-5-4-6-16(11-12)20-13(2)17(18)14-7-9-15(19-3)10-8-14/h7-10,12-13,16H,4-6,11H2,1-3H3
InChIKeyGZAXVNBZBYDUPT-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one
CID 55025258
1-(4-bromophenyl)-2-cyclohexylsulfanylpropan-1-one
CID 60644033
N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide
CID 25498898
2-(cyclopentylmethylsulfonyl)-1-(4-methoxyphenyl)propan-1-one
CID 64636607
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
2-(2,3-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62125367
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 9026384
1-(4-methoxyphenyl)-2-methylsulfonylpropan-1-one
CID 62786269
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62931770
1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
CID 64640564

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one (CID 62722982) is 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one is COc1ccc(C(=O)C(C)SC2CCCC(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one?
The InChIKey is GZAXVNBZBYDUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-12-5-4-6-16(11-12)20-13(2)17(18)14-7-9-15(19-3)10-8-14/h7-10,12-13,16H,4-6,11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one?
1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one has a molecular weight of 292.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one is sourced from PubChem (CID 62722982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).