[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol

C19H20O2S — CID 10425675

IUPAC[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol
SMILESOC[C@H]1[C@@H](c2ccccc2)C=C(c2ccccc2)S[C@@H]1CO
InChIInChI=1S/C19H20O2S/c20-12-17-16(14-7-3-1-4-8-14)11-18(22-19(17)13-21)15-9-5-2-6-10-15/h1-11,16-17,19-21H,12-13H2/t16-,17+,19-/m1/s1
InChIKeyWKUUYELVYHMJTN-ZIFCJYIRSA-N
MW312.43 g/mol
LogP3.53
Rot. Bonds4

About [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol

[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol (PubChem CID 10425675) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol
PubChem CID10425675
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Name[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol
SMILESOC[C@H]1[C@@H](c2ccccc2)C=C(c2ccccc2)S[C@@H]1CO
InChIInChI=1S/C19H20O2S/c20-12-17-16(14-7-3-1-4-8-14)11-18(22-19(17)13-21)15-9-5-2-6-10-15/h1-11,16-17,19-21H,12-13H2/t16-,17+,19-/m1/s1
InChIKeyWKUUYELVYHMJTN-ZIFCJYIRSA-N
XLogP3.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol with MolForge

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Related Compounds

[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol
CID 151184902
2,4,6-triphenyl-4H-thiopyran
CID 629780
(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
CID 101223989
[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
CID 102310526
2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
CID 134975750
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 85138935
(4R,4aR,8aS)-2,4-diphenyl-4,4a,5,6,7,8-hexahydrothiochromene-8a-thiol
CID 11869864
(4S,4aR,8aS)-4-benzyl-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene
CID 11918891
4-methyl-2,3,6-triphenyl-2H-thiopyran
CID 15537466
[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
CID 102330777

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol?
The IUPAC name of [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol (CID 10425675) is [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol.
What is the SMILES notation for [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol?
The canonical SMILES for [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol is OC[C@H]1[C@@H](c2ccccc2)C=C(c2ccccc2)S[C@@H]1CO.
What is the InChIKey of [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol?
The InChIKey is WKUUYELVYHMJTN-ZIFCJYIRSA-N. The full InChI is InChI=1S/C19H20O2S/c20-12-17-16(14-7-3-1-4-8-14)11-18(22-19(17)13-21)15-9-5-2-6-10-15/h1-11,16-17,19-21H,12-13H2/t16-,17+,19-/m1/s1.
What are the key properties of [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol?
[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol has a molecular weight of 312.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol is sourced from PubChem (CID 10425675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).