1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one

C17H18O2S — CID 1489788

IUPAC1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one
SMILESCOc1ccc(C(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O2S/c1-13-3-9-16(10-4-13)20-12-11-17(18)14-5-7-15(19-2)8-6-14/h3-10H,11-12H2,1-2H3
InChIKeyGNDCXXVPTSEXFD-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.37
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one

1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one (PubChem CID 1489788) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one
PubChem CID1489788
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one
SMILESCOc1ccc(C(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O2S/c1-13-3-9-16(10-4-13)20-12-11-17(18)14-5-7-15(19-2)8-6-14/h3-10H,11-12H2,1-2H3
InChIKeyGNDCXXVPTSEXFD-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one (CID 1489788) is 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one is COc1ccc(C(=O)CCSc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one?
The InChIKey is GNDCXXVPTSEXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-13-3-9-16(10-4-13)20-12-11-17(18)14-5-7-15(19-2)8-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one?
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one has a molecular weight of 286.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one is sourced from PubChem (CID 1489788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).