cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one

C18H18OS — CID 101065552

IUPACcis-(2R,3R)-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-/m1/s1
InChIKeyFTVQCGIEJJZXHL-CRAIPNDOSA-N
MW282.41 g/mol
LogP4.37
Rot. Bonds5

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

cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one (PubChem CID 101065552) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one
PubChem CID101065552
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Namecis-(2R,3R)-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-/m1/s1
InChIKeyFTVQCGIEJJZXHL-CRAIPNDOSA-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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2,5-bis(2-phenylethyl)-7-oxabicyclo[4.1.0]heptane
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cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
1-benzyl-3-phenylsulfanylpyrrolidine-2,5-dione
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CID 12636355

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one?
The IUPAC name of cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one (CID 101065552) is cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one.
What is the SMILES notation for cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one?
The canonical SMILES for cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one is O=C1C[C@@H](CCc2ccccc2)[C@H]1Sc1ccccc1.
What is the InChIKey of cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one?
The InChIKey is FTVQCGIEJJZXHL-CRAIPNDOSA-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-/m1/s1.
What are the key properties of cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one?
cis-(2R,3R)-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 cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one is sourced from PubChem (CID 101065552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).