phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol

C17H16OS2 — CID 10266827

IUPACphenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol
SMILESOC(C1=C(c2ccccc2)SCCS1)c1ccccc1
InChIInChI=1S/C17H16OS2/c18-15(13-7-3-1-4-8-13)17-16(19-11-12-20-17)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2
InChIKeyDVAIUVKHHOYOSJ-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.57
Rot. Bonds3

About phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol

phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol (PubChem CID 10266827) has the molecular formula C17H16OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol.

Molecular Properties

Compound Namephenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol
PubChem CID10266827
Molecular FormulaC17H16OS2
Molecular Weight300.45 g/mol
Exact Mass300.06
IUPAC Namephenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol
SMILESOC(C1=C(c2ccccc2)SCCS1)c1ccccc1
InChIInChI=1S/C17H16OS2/c18-15(13-7-3-1-4-8-13)17-16(19-11-12-20-17)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2
InChIKeyDVAIUVKHHOYOSJ-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol?
The IUPAC name of phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol (CID 10266827) is phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol.
What is the SMILES notation for phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol?
The canonical SMILES for phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol is OC(C1=C(c2ccccc2)SCCS1)c1ccccc1.
What is the InChIKey of phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol?
The InChIKey is DVAIUVKHHOYOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS2/c18-15(13-7-3-1-4-8-13)17-16(19-11-12-20-17)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2.
What are the key properties of phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol?
phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol has a molecular weight of 300.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(6-phenyl-2,3-dihydro-1,4-dithiin-5-yl)methanol is sourced from PubChem (CID 10266827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).