(6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one

C18H18O2S — CID 18597523

IUPAC(6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one
SMILESO=C1CCC[C@H](C(Sc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C18H18O2S/c19-17-13-7-12-16(20-17)18(14-8-3-1-4-9-14)21-15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2/t16-,18?/m1/s1
InChIKeyWEILNLJYCQXOID-PYUWXLGESA-N
MW298.41 g/mol
LogP4.62
Rot. Bonds4

About (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one

(6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one (PubChem CID 18597523) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one.

Molecular Properties

Compound Name(6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one
PubChem CID18597523
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name(6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one
SMILESO=C1CCC[C@H](C(Sc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C18H18O2S/c19-17-13-7-12-16(20-17)18(14-8-3-1-4-9-14)21-15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2/t16-,18?/m1/s1
InChIKeyWEILNLJYCQXOID-PYUWXLGESA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
CID 11229284
[cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene
CID 12713629
2-[(R)-cyclohexyl(phenylsulfanyl)methyl]-3-hydroxycyclohex-2-en-1-one
CID 92983342
2-(5-chloro-1-phenylsulfanylpentyl)cyclopentan-1-one
CID 13382699
[(1S)-1-[(2R)-6-oxooxan-2-yl]undecyl] benzoate
CID 102055325
N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide
CID 4055742
1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one
CID 123241673
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
[chloro(phenyl)methyl]sulfanylbenzene
CID 12914700
2-[[oxiran-2-yl(phenyl)methyl]sulfanyl-phenylmethyl]oxirane
CID 54307335
2-[2,2-bis(phenylsulfanyl)ethyl]cyclohexan-1-one
CID 14967693
(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one
CID 35581029

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one?
The IUPAC name of (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one (CID 18597523) is (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one.
What is the SMILES notation for (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one?
The canonical SMILES for (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one is O=C1CCC[C@H](C(Sc2ccccc2)c2ccccc2)O1.
What is the InChIKey of (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one?
The InChIKey is WEILNLJYCQXOID-PYUWXLGESA-N. The full InChI is InChI=1S/C18H18O2S/c19-17-13-7-12-16(20-17)18(14-8-3-1-4-9-14)21-15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2/t16-,18?/m1/s1.
What are the key properties of (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one?
(6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one has a molecular weight of 298.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one is sourced from PubChem (CID 18597523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).