1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

C17H18O2S — CID 66093415

IUPAC1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCOc1cccc(CC(=O)CSc2ccccc2C)c1
InChIInChI=1S/C17H18O2S/c1-13-6-3-4-9-17(13)20-12-15(18)10-14-7-5-8-16(11-14)19-2/h3-9,11H,10,12H2,1-2H3
InChIKeyPUOOKNXALIATFR-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.91
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (PubChem CID 66093415) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
PubChem CID66093415
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCOc1cccc(CC(=O)CSc2ccccc2C)c1
InChIInChI=1S/C17H18O2S/c1-13-6-3-4-9-17(13)20-12-15(18)10-14-7-5-8-16(11-14)19-2/h3-9,11H,10,12H2,1-2H3
InChIKeyPUOOKNXALIATFR-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 82919916
1-(4-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093825
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 18162327
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 60892959
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 114347272

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (CID 66093415) is 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is COc1cccc(CC(=O)CSc2ccccc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The InChIKey is PUOOKNXALIATFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-13-6-3-4-9-17(13)20-12-15(18)10-14-7-5-8-16(11-14)19-2/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one has a molecular weight of 286.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66093415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).