2,3,8-trimethyldibenzothiophen-4-ol

C15H14OS — CID 12861823

IUPAC2,3,8-trimethyldibenzothiophen-4-ol
SMILESCc1ccc2sc3c(O)c(C)c(C)cc3c2c1
InChIInChI=1S/C15H14OS/c1-8-4-5-13-11(6-8)12-7-9(2)10(3)14(16)15(12)17-13/h4-7,16H,1-3H3
InChIKeyAEMUJSYJJMYOFZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.69
Rot. Bonds

About 2,3,8-trimethyldibenzothiophen-4-ol

2,3,8-trimethyldibenzothiophen-4-ol (PubChem CID 12861823) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2,3,8-trimethyldibenzothiophen-4-ol.

Molecular Properties

Compound Name2,3,8-trimethyldibenzothiophen-4-ol
PubChem CID12861823
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2,3,8-trimethyldibenzothiophen-4-ol
SMILESCc1ccc2sc3c(O)c(C)c(C)cc3c2c1
InChIInChI=1S/C15H14OS/c1-8-4-5-13-11(6-8)12-7-9(2)10(3)14(16)15(12)17-13/h4-7,16H,1-3H3
InChIKeyAEMUJSYJJMYOFZ-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,8-trimethyldibenzothiophen-4-ol?
The IUPAC name of 2,3,8-trimethyldibenzothiophen-4-ol (CID 12861823) is 2,3,8-trimethyldibenzothiophen-4-ol.
What is the SMILES notation for 2,3,8-trimethyldibenzothiophen-4-ol?
The canonical SMILES for 2,3,8-trimethyldibenzothiophen-4-ol is Cc1ccc2sc3c(O)c(C)c(C)cc3c2c1.
What is the InChIKey of 2,3,8-trimethyldibenzothiophen-4-ol?
The InChIKey is AEMUJSYJJMYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-8-4-5-13-11(6-8)12-7-9(2)10(3)14(16)15(12)17-13/h4-7,16H,1-3H3.
What are the key properties of 2,3,8-trimethyldibenzothiophen-4-ol?
2,3,8-trimethyldibenzothiophen-4-ol has a molecular weight of 242.34 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-trimethyldibenzothiophen-4-ol is sourced from PubChem (CID 12861823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).