3-dibenzothiophen-2-ylprop-2-enal

C15H10OS — CID 54153197

IUPAC3-dibenzothiophen-2-ylprop-2-enal
SMILESO=CC=Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C15H10OS/c16-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)17-15/h1-10H
InChIKeyOJEQUZZMUBUICM-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.27
Rot. Bonds2

About 3-dibenzothiophen-2-ylprop-2-enal

3-dibenzothiophen-2-ylprop-2-enal (PubChem CID 54153197) has the molecular formula C15H10OS and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-dibenzothiophen-2-ylprop-2-enal.

Molecular Properties

Compound Name3-dibenzothiophen-2-ylprop-2-enal
PubChem CID54153197
Molecular FormulaC15H10OS
Molecular Weight238.31 g/mol
Exact Mass238.05
IUPAC Name3-dibenzothiophen-2-ylprop-2-enal
SMILESO=CC=Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C15H10OS/c16-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)17-15/h1-10H
InChIKeyOJEQUZZMUBUICM-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-ylprop-2-enal?
The IUPAC name of 3-dibenzothiophen-2-ylprop-2-enal (CID 54153197) is 3-dibenzothiophen-2-ylprop-2-enal.
What is the SMILES notation for 3-dibenzothiophen-2-ylprop-2-enal?
The canonical SMILES for 3-dibenzothiophen-2-ylprop-2-enal is O=CC=Cc1ccc2sc3ccccc3c2c1.
What is the InChIKey of 3-dibenzothiophen-2-ylprop-2-enal?
The InChIKey is OJEQUZZMUBUICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10OS/c16-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)17-15/h1-10H.
What are the key properties of 3-dibenzothiophen-2-ylprop-2-enal?
3-dibenzothiophen-2-ylprop-2-enal has a molecular weight of 238.31 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-ylprop-2-enal is sourced from PubChem (CID 54153197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).