trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one

C18H18OS — CID 10564866

IUPACtrans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one
SMILESO=C1C[C@H](CCc2ccccc2)[C@H]1Sc1ccccc1
InChIInChI=1S/C18H18OS/c19-17-13-15(12-11-14-7-3-1-4-8-14)18(17)20-16-9-5-2-6-10-16/h1-10,15,18H,11-13H2/t15-,18+/m0/s1
InChIKeyFTVQCGIEJJZXHL-MAUKXSAKSA-N
MW282.41 g/mol
LogP4.37
Rot. Bonds5

About trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one

trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one (PubChem CID 10564866) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one.

Molecular Properties

Compound Nametrans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one
PubChem CID10564866
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Nametrans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one
SMILESO=C1C[C@H](CCc2ccccc2)[C@H]1Sc1ccccc1
InChIInChI=1S/C18H18OS/c19-17-13-15(12-11-14-7-3-1-4-8-14)18(17)20-16-9-5-2-6-10-16/h1-10,15,18H,11-13H2/t15-,18+/m0/s1
InChIKeyFTVQCGIEJJZXHL-MAUKXSAKSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3127843
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Phenacyl phenyl sulfide
CID 85338
2,6-Diphenyltetrahydro-4H-thiopyran-4-one
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1,1-Diphenyl-3-(phenylsulfonyl)propan-2-one
CID 44437611
1-Propanone, 1,3-diphenyl-3-(phenylthio)-
CID 3753151
cis-2,6-Diphenyl-4-tetrahydrothiopyranone
CID 763695
1-Phenyl-2-phenylsulfanylpropan-1-one
CID 3405182
3-(2-Tert-butylsulfanylethylsulfanyl)-5-phenylcyclohex-2-en-1-one
CID 2806060
(5R)-5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one
CID 44144019
2-(Phenylthio)cyclododecanone
CID 317517
Ethanone, 1,2-diphenyl-2-(phenylthio)-
CID 292261

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one?
The IUPAC name of trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one (CID 10564866) is trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one.
What is the SMILES notation for trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one?
The canonical SMILES for trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one is O=C1C[C@H](CCc2ccccc2)[C@H]1Sc1ccccc1.
What is the InChIKey of trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one?
The InChIKey is FTVQCGIEJJZXHL-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H18OS/c19-17-13-15(12-11-14-7-3-1-4-8-14)18(17)20-16-9-5-2-6-10-16/h1-10,15,18H,11-13H2/t15-,18+/m0/s1.
What are the key properties of trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one?
trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one has a molecular weight of 282.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one is sourced from PubChem (CID 10564866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).