(2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran

C17H16S — CID 101401487

IUPAC(2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran
SMILESC1=C[C@H](c2ccccc2)C[C@H](c2ccccc2)S1
InChIInChI=1S/C17H16S/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15/h1-12,16-17H,13H2/t16-,17+/m0/s1
InChIKeyFOTXIRXJGALNIY-DLBZAZTESA-N
MW252.38 g/mol
LogP5.16
Rot. Bonds2

About (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran

(2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran (PubChem CID 101401487) has the molecular formula C17H16S and a molecular weight of 252.38 g/mol. Its IUPAC name is (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name(2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran
PubChem CID101401487
Molecular FormulaC17H16S
Molecular Weight252.38 g/mol
Exact Mass252.10
IUPAC Name(2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran
SMILESC1=C[C@H](c2ccccc2)C[C@H](c2ccccc2)S1
InChIInChI=1S/C17H16S/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15/h1-12,16-17H,13H2/t16-,17+/m0/s1
InChIKeyFOTXIRXJGALNIY-DLBZAZTESA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran (CID 101401487) is (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran is C1=C[C@H](c2ccccc2)C[C@H](c2ccccc2)S1.
What is the InChIKey of (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran?
The InChIKey is FOTXIRXJGALNIY-DLBZAZTESA-N. The full InChI is InChI=1S/C17H16S/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15/h1-12,16-17H,13H2/t16-,17+/m0/s1.
What are the key properties of (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran?
(2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran has a molecular weight of 252.38 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 101401487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).