6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one

C24H18O2S — CID 11428674

IUPAC6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one
SMILESCSc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C24H18O2S/c1-27-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23(24(25)26-22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyKBQMJDYBAGVYCD-UHFFFAOYSA-N
MW370.47 g/mol
LogP6.36
Rot. Bonds4

About 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one

6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one (PubChem CID 11428674) has the molecular formula C24H18O2S and a molecular weight of 370.47 g/mol. Its IUPAC name is 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one.

Molecular Properties

Compound Name6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one
PubChem CID11428674
Molecular FormulaC24H18O2S
Molecular Weight370.47 g/mol
Exact Mass370.10
IUPAC Name6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one
SMILESCSc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C24H18O2S/c1-27-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23(24(25)26-22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyKBQMJDYBAGVYCD-UHFFFAOYSA-N
XLogP6.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one
CID 11486407
3-(4-methylsulfonylphenyl)-4,6-diphenylpyran-2-one
CID 11475133
6-[4-(diethylamino)phenyl]-3,4-diphenylpyran-2-one
CID 71350905
6-(4-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-4-phenylpyran-2-one
CID 11154312
6-methylsulfanyl-3-(4-methylsulfonylphenyl)-4-phenylpyran-2-one
CID 11406134
4-bromo-3,6-diphenylpyran-2-one
CID 100914705
3-(4-azidophenyl)-6-(4-ethoxyphenyl)-4-phenylpyran-2-one
CID 11475351
3,4-diphenyl-6-(4-phenylphenyl)pyran-2-thione
CID 71379689
3-(3H-inden-1-yl)-7-methylsulfanylcyclohepta[b]furan-2-one;7-(methyldisulfanyl)-3-(4-methylphenyl)cyclohepta[b]furan-2-one;7-(methyldisulfanyl)-3-phenylcyclohepta[b]furan-2-one;3-(4-methylphenyl)-7-methylsulfanylcyclohepta[b]furan-2-one;7-methylsulfanyl-3-phenylcyclohepta[b]furan-2-one
CID 160653407
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)pyran-2-one
CID 11178448
6-tert-butyl-3-(4-methoxyphenyl)-4-phenylpyran-2-one
CID 162397116

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one?
The IUPAC name of 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one (CID 11428674) is 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one.
What is the SMILES notation for 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one?
The canonical SMILES for 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one is CSc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(=O)o2)cc1.
What is the InChIKey of 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one?
The InChIKey is KBQMJDYBAGVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2S/c1-27-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23(24(25)26-22)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one?
6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one has a molecular weight of 370.47 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one is sourced from PubChem (CID 11428674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).