4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one

C19H18O3S — CID 54688984

IUPAC4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one
SMILESO=C1OC(c2ccccc2)CC(O)=C1SCCc1ccccc1
InChIInChI=1S/C19H18O3S/c20-16-13-17(15-9-5-2-6-10-15)22-19(21)18(16)23-12-11-14-7-3-1-4-8-14/h1-10,17,20H,11-13H2
InChIKeyUAGSYRKVSFXDHL-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.42
Rot. Bonds5

About 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one

4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one (PubChem CID 54688984) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one
PubChem CID54688984
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one
SMILESO=C1OC(c2ccccc2)CC(O)=C1SCCc1ccccc1
InChIInChI=1S/C19H18O3S/c20-16-13-17(15-9-5-2-6-10-15)22-19(21)18(16)23-12-11-14-7-3-1-4-8-14/h1-10,17,20H,11-13H2
InChIKeyUAGSYRKVSFXDHL-UHFFFAOYSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Cyclohexylsulfanyl-2-cyclopentyl-ethyl)-4-hydroxy-6-phenyl-pyran-2-one
CID 54681212
3-[1-(Cyclohexylmethylsulfanyl)-3-methyl-butyl]-4-hydroxy-6-phenyl-pyran-2-one
CID 54681246
3-[1-(benzylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
CID 54681312
3-[Benzylsulfanyl(phenyl)methyl]-4-hydroxy-6-phenyl-pyran-2-one
CID 54681319
3-[1-(cyclohexylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
CID 54681350
3-[1-(benzylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
CID 54681436
3-[Cyclohexylsulfanyl(phenyl)methyl]-4-hydroxy-6-phenyl-pyran-2-one
CID 54689045
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one
CID 54681207
4-hydroxy-6-phenyl-3-(phenylsulfanyl)-2H-pyran-2-one
CID 54689058
3-(benzylsulfanyl)-4-hydroxy-6-phenyl-2H-pyran-2-one
CID 54689059
5-benzylsulfanyl-4-hydroxy-2-pentyl-2-phenyl-3H-pyran-6-one
CID 54684568
5-benzylsulfanyl-4-hydroxy-2-phenyl-2-propyl-3H-pyran-6-one
CID 54688985

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one?
The IUPAC name of 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one (CID 54688984) is 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one is O=C1OC(c2ccccc2)CC(O)=C1SCCc1ccccc1.
What is the InChIKey of 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one?
The InChIKey is UAGSYRKVSFXDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3S/c20-16-13-17(15-9-5-2-6-10-15)22-19(21)18(16)23-12-11-14-7-3-1-4-8-14/h1-10,17,20H,11-13H2.
What are the key properties of 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one?
4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one has a molecular weight of 326.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 54688984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).