dibenzothiophen-1-ylmethanol

C13H10OS — CID 13128329

IUPACdibenzothiophen-1-ylmethanol
SMILESOCc1cccc2sc3ccccc3c12
InChIInChI=1S/C13H10OS/c14-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)15-12/h1-7,14H,8H2
InChIKeyGGOPEJZXVDEAPQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.55
Rot. Bonds1

About dibenzothiophen-1-ylmethanol

dibenzothiophen-1-ylmethanol (PubChem CID 13128329) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is dibenzothiophen-1-ylmethanol.

Molecular Properties

Compound Namedibenzothiophen-1-ylmethanol
PubChem CID13128329
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Namedibenzothiophen-1-ylmethanol
SMILESOCc1cccc2sc3ccccc3c12
InChIInChI=1S/C13H10OS/c14-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)15-12/h1-7,14H,8H2
InChIKeyGGOPEJZXVDEAPQ-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-1-ylmethanol?
The IUPAC name of dibenzothiophen-1-ylmethanol (CID 13128329) is dibenzothiophen-1-ylmethanol.
What is the SMILES notation for dibenzothiophen-1-ylmethanol?
The canonical SMILES for dibenzothiophen-1-ylmethanol is OCc1cccc2sc3ccccc3c12.
What is the InChIKey of dibenzothiophen-1-ylmethanol?
The InChIKey is GGOPEJZXVDEAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)15-12/h1-7,14H,8H2.
What are the key properties of dibenzothiophen-1-ylmethanol?
dibenzothiophen-1-ylmethanol has a molecular weight of 214.29 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-1-ylmethanol is sourced from PubChem (CID 13128329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).