phenyl-(2-phenyl-1,3-dithian-2-yl)methanol

C17H18OS2 — CID 11536778

IUPACphenyl-(2-phenyl-1,3-dithian-2-yl)methanol
SMILESOC(c1ccccc1)C1(c2ccccc2)SCCCS1
InChIInChI=1S/C17H18OS2/c18-16(14-8-3-1-4-9-14)17(19-12-7-13-20-17)15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2
InChIKeyQYMTTZDJONFBEJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.44
Rot. Bonds3

About phenyl-(2-phenyl-1,3-dithian-2-yl)methanol

phenyl-(2-phenyl-1,3-dithian-2-yl)methanol (PubChem CID 11536778) has the molecular formula C17H18OS2 and a molecular weight of 302.46 g/mol. Its IUPAC name is phenyl-(2-phenyl-1,3-dithian-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(2-phenyl-1,3-dithian-2-yl)methanol
PubChem CID11536778
Molecular FormulaC17H18OS2
Molecular Weight302.46 g/mol
Exact Mass302.08
IUPAC Namephenyl-(2-phenyl-1,3-dithian-2-yl)methanol
SMILESOC(c1ccccc1)C1(c2ccccc2)SCCCS1
InChIInChI=1S/C17H18OS2/c18-16(14-8-3-1-4-9-14)17(19-12-7-13-20-17)15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2
InChIKeyQYMTTZDJONFBEJ-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenyl-1,3-dithian-2-yl)methanol?
The IUPAC name of phenyl-(2-phenyl-1,3-dithian-2-yl)methanol (CID 11536778) is phenyl-(2-phenyl-1,3-dithian-2-yl)methanol.
What is the SMILES notation for phenyl-(2-phenyl-1,3-dithian-2-yl)methanol?
The canonical SMILES for phenyl-(2-phenyl-1,3-dithian-2-yl)methanol is OC(c1ccccc1)C1(c2ccccc2)SCCCS1.
What is the InChIKey of phenyl-(2-phenyl-1,3-dithian-2-yl)methanol?
The InChIKey is QYMTTZDJONFBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS2/c18-16(14-8-3-1-4-9-14)17(19-12-7-13-20-17)15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2.
What are the key properties of phenyl-(2-phenyl-1,3-dithian-2-yl)methanol?
phenyl-(2-phenyl-1,3-dithian-2-yl)methanol has a molecular weight of 302.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyl-1,3-dithian-2-yl)methanol is sourced from PubChem (CID 11536778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).