9-thiophen-2-ylphenalen-1-one

C17H10OS — CID 2754647

IUPAC9-thiophen-2-ylphenalen-1-one
SMILESO=C1C=Cc2cccc3ccc(-c4cccs4)c1c23
InChIInChI=1S/C17H10OS/c18-14-9-7-12-4-1-3-11-6-8-13(17(14)16(11)12)15-5-2-10-19-15/h1-10H
InChIKeySQCHRHSEGBVJNL-UHFFFAOYSA-N
MW262.33 g/mol
LogP4.78
Rot. Bonds1

About 9-thiophen-2-ylphenalen-1-one

9-thiophen-2-ylphenalen-1-one (PubChem CID 2754647) has the molecular formula C17H10OS and a molecular weight of 262.33 g/mol. Its IUPAC name is 9-thiophen-2-ylphenalen-1-one.

Molecular Properties

Compound Name9-thiophen-2-ylphenalen-1-one
PubChem CID2754647
Molecular FormulaC17H10OS
Molecular Weight262.33 g/mol
Exact Mass262.05
IUPAC Name9-thiophen-2-ylphenalen-1-one
SMILESO=C1C=Cc2cccc3ccc(-c4cccs4)c1c23
InChIInChI=1S/C17H10OS/c18-14-9-7-12-4-1-3-11-6-8-13(17(14)16(11)12)15-5-2-10-19-15/h1-10H
InChIKeySQCHRHSEGBVJNL-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-thiophen-2-ylphenalen-1-one?
The IUPAC name of 9-thiophen-2-ylphenalen-1-one (CID 2754647) is 9-thiophen-2-ylphenalen-1-one.
What is the SMILES notation for 9-thiophen-2-ylphenalen-1-one?
The canonical SMILES for 9-thiophen-2-ylphenalen-1-one is O=C1C=Cc2cccc3ccc(-c4cccs4)c1c23.
What is the InChIKey of 9-thiophen-2-ylphenalen-1-one?
The InChIKey is SQCHRHSEGBVJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10OS/c18-14-9-7-12-4-1-3-11-6-8-13(17(14)16(11)12)15-5-2-10-19-15/h1-10H.
What are the key properties of 9-thiophen-2-ylphenalen-1-one?
9-thiophen-2-ylphenalen-1-one has a molecular weight of 262.33 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thiophen-2-ylphenalen-1-one is sourced from PubChem (CID 2754647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).