1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one

C23H22O3S — CID 53494870

IUPAC1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one
SMILESCOc1ccc(C(=O)CC(Sc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22O3S/c1-25-19-12-8-17(9-13-19)22(24)16-23(27-21-6-4-3-5-7-21)18-10-14-20(26-2)15-11-18/h3-15,23H,16H2,1-2H3
InChIKeyBZZCQXIXDXRBLL-UHFFFAOYSA-N
MW378.49 g/mol
LogP5.81
Rot. Bonds8

About 1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one

1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one (PubChem CID 53494870) has the molecular formula C23H22O3S and a molecular weight of 378.49 g/mol. Its IUPAC name is 1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one
PubChem CID53494870
Molecular FormulaC23H22O3S
Molecular Weight378.49 g/mol
Exact Mass378.13
IUPAC Name1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one
SMILESCOc1ccc(C(=O)CC(Sc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22O3S/c1-25-19-12-8-17(9-13-19)22(24)16-23(27-21-6-4-3-5-7-21)18-10-14-20(26-2)15-11-18/h3-15,23H,16H2,1-2H3
InChIKeyBZZCQXIXDXRBLL-UHFFFAOYSA-N
XLogP5.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
4,4'-Dimethoxybenzil
CID 71043
4-Methoxybenzophenone
CID 69146
4,4'-Dimethoxychalcone
CID 5377817
1,3-Bis(4-methoxyphenyl)-1,3-propanedione
CID 87596
4'-Methoxy-2-(phenylsulfonyl)acetophenone
CID 4271571
4'-Methoxy-3-phenylpropiophenone
CID 245554
1-(4-Methoxyphenyl)-4-phenylbutan-1-one
CID 44589436
4,4'-Dimethoxybenzophenone
CID 7032
1-(4-Methoxyphenyl)-2-phenylethan-1-one
CID 231093
1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethanone
CID 16750524
7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one
CID 308180

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one (CID 53494870) is 1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one is COc1ccc(C(=O)CC(Sc2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one?
The InChIKey is BZZCQXIXDXRBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3S/c1-25-19-12-8-17(9-13-19)22(24)16-23(27-21-6-4-3-5-7-21)18-10-14-20(26-2)15-11-18/h3-15,23H,16H2,1-2H3.
What are the key properties of 1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one?
1,3-bis(4-methoxyphenyl)-3-phenylsulfanylpropan-1-one has a molecular weight of 378.49 g/mol, XLogP of 5.81, 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-phenylsulfanylpropan-1-one is sourced from PubChem (CID 53494870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).