dibenzothiophene-2,8-diol

C12H8O2S — CID 1204339

IUPACdibenzothiophene-2,8-diol
SMILESOc1ccc2sc3ccc(O)cc3c2c1
InChIInChI=1S/C12H8O2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,13-14H
InChIKeyORACUDSQEWJAQK-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.47
Rot. Bonds

About dibenzothiophene-2,8-diol

dibenzothiophene-2,8-diol (PubChem CID 1204339) has the molecular formula C12H8O2S and a molecular weight of 216.26 g/mol. Its IUPAC name is dibenzothiophene-2,8-diol.

Molecular Properties

Compound Namedibenzothiophene-2,8-diol
PubChem CID1204339
Molecular FormulaC12H8O2S
Molecular Weight216.26 g/mol
Exact Mass216.02
IUPAC Namedibenzothiophene-2,8-diol
SMILESOc1ccc2sc3ccc(O)cc3c2c1
InChIInChI=1S/C12H8O2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,13-14H
InChIKeyORACUDSQEWJAQK-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dibenzothiophene-2,8-diol?
The IUPAC name of dibenzothiophene-2,8-diol (CID 1204339) is dibenzothiophene-2,8-diol.
What is the SMILES notation for dibenzothiophene-2,8-diol?
The canonical SMILES for dibenzothiophene-2,8-diol is Oc1ccc2sc3ccc(O)cc3c2c1.
What is the InChIKey of dibenzothiophene-2,8-diol?
The InChIKey is ORACUDSQEWJAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,13-14H.
What are the key properties of dibenzothiophene-2,8-diol?
dibenzothiophene-2,8-diol has a molecular weight of 216.26 g/mol, XLogP of 3.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene-2,8-diol is sourced from PubChem (CID 1204339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).