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

C24H24O3S — CID 24764197

IUPAC1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one
SMILESCOc1ccc(C(=O)CC(Sc2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24O3S/c1-17-4-14-22(15-5-17)28-24(19-8-12-21(27-3)13-9-19)16-23(25)18-6-10-20(26-2)11-7-18/h4-15,24H,16H2,1-3H3
InChIKeyCYQRJQOKRSOUPT-UHFFFAOYSA-N
MW392.52 g/mol
LogP6.12
Rot. Bonds8

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

1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one (PubChem CID 24764197) has the molecular formula C24H24O3S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one
PubChem CID24764197
Molecular FormulaC24H24O3S
Molecular Weight392.52 g/mol
Exact Mass392.14
IUPAC Name1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one
SMILESCOc1ccc(C(=O)CC(Sc2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24O3S/c1-17-4-14-22(15-5-17)28-24(19-8-12-21(27-3)13-9-19)16-23(25)18-6-10-20(26-2)11-7-18/h4-15,24H,16H2,1-3H3
InChIKeyCYQRJQOKRSOUPT-UHFFFAOYSA-N
XLogP6.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one?
The IUPAC name of 1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one (CID 24764197) is 1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one?
The canonical SMILES for 1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one is COc1ccc(C(=O)CC(Sc2ccc(C)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one?
The InChIKey is CYQRJQOKRSOUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3S/c1-17-4-14-22(15-5-17)28-24(19-8-12-21(27-3)13-9-19)16-23(25)18-6-10-20(26-2)11-7-18/h4-15,24H,16H2,1-3H3.
What are the key properties of 1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one?
1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one has a molecular weight of 392.52 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one is sourced from PubChem (CID 24764197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).