9-chlorodibenzothiophen-4-ol

C12H7ClOS — CID 166591681

IUPAC9-chlorodibenzothiophen-4-ol
SMILESOc1cccc2c1sc1cccc(Cl)c12
InChIInChI=1S/C12H7ClOS/c13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h1-6,14H
InChIKeyKWRRNJHTNAZIQW-UHFFFAOYSA-N
MW234.71 g/mol
LogP4.41
Rot. Bonds

About 9-chlorodibenzothiophen-4-ol

9-chlorodibenzothiophen-4-ol (PubChem CID 166591681) has the molecular formula C12H7ClOS and a molecular weight of 234.71 g/mol. Its IUPAC name is 9-chlorodibenzothiophen-4-ol.

Molecular Properties

Compound Name9-chlorodibenzothiophen-4-ol
PubChem CID166591681
Molecular FormulaC12H7ClOS
Molecular Weight234.71 g/mol
Exact Mass233.99
IUPAC Name9-chlorodibenzothiophen-4-ol
SMILESOc1cccc2c1sc1cccc(Cl)c12
InChIInChI=1S/C12H7ClOS/c13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h1-6,14H
InChIKeyKWRRNJHTNAZIQW-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chlorodibenzothiophen-4-ol?
The IUPAC name of 9-chlorodibenzothiophen-4-ol (CID 166591681) is 9-chlorodibenzothiophen-4-ol.
What is the SMILES notation for 9-chlorodibenzothiophen-4-ol?
The canonical SMILES for 9-chlorodibenzothiophen-4-ol is Oc1cccc2c1sc1cccc(Cl)c12.
What is the InChIKey of 9-chlorodibenzothiophen-4-ol?
The InChIKey is KWRRNJHTNAZIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClOS/c13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h1-6,14H.
What are the key properties of 9-chlorodibenzothiophen-4-ol?
9-chlorodibenzothiophen-4-ol has a molecular weight of 234.71 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chlorodibenzothiophen-4-ol is sourced from PubChem (CID 166591681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).