3-chlorodibenzothiophen-4-ol

C12H7ClOS — CID 901536

IUPAC3-chlorodibenzothiophen-4-ol
SMILESOc1c(Cl)ccc2c1sc1ccccc12
InChIInChI=1S/C12H7ClOS/c13-9-6-5-8-7-3-1-2-4-10(7)15-12(8)11(9)14/h1-6,14H
InChIKeyTUJSFQIUMPETCR-UHFFFAOYSA-N
MW234.71 g/mol
LogP4.41
Rot. Bonds

About 3-chlorodibenzothiophen-4-ol

3-chlorodibenzothiophen-4-ol (PubChem CID 901536) has the molecular formula C12H7ClOS and a molecular weight of 234.71 g/mol. Its IUPAC name is 3-chlorodibenzothiophen-4-ol.

Molecular Properties

Compound Name3-chlorodibenzothiophen-4-ol
PubChem CID901536
Molecular FormulaC12H7ClOS
Molecular Weight234.71 g/mol
Exact Mass233.99
IUPAC Name3-chlorodibenzothiophen-4-ol
SMILESOc1c(Cl)ccc2c1sc1ccccc12
InChIInChI=1S/C12H7ClOS/c13-9-6-5-8-7-3-1-2-4-10(7)15-12(8)11(9)14/h1-6,14H
InChIKeyTUJSFQIUMPETCR-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 3-chlorodibenzothiophen-4-ol?
The IUPAC name of 3-chlorodibenzothiophen-4-ol (CID 901536) is 3-chlorodibenzothiophen-4-ol.
What is the SMILES notation for 3-chlorodibenzothiophen-4-ol?
The canonical SMILES for 3-chlorodibenzothiophen-4-ol is Oc1c(Cl)ccc2c1sc1ccccc12.
What is the InChIKey of 3-chlorodibenzothiophen-4-ol?
The InChIKey is TUJSFQIUMPETCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClOS/c13-9-6-5-8-7-3-1-2-4-10(7)15-12(8)11(9)14/h1-6,14H.
What are the key properties of 3-chlorodibenzothiophen-4-ol?
3-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 3-chlorodibenzothiophen-4-ol is sourced from PubChem (CID 901536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).