2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one

C18H12O2S2 — CID 4319233

IUPAC2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one
SMILESO=C1C(=Cc2cccs2)C(c2cccs2)Oc2ccccc21
InChIInChI=1S/C18H12O2S2/c19-17-13-6-1-2-7-15(13)20-18(16-8-4-10-22-16)14(17)11-12-5-3-9-21-12/h1-11,18H
InChIKeyLVBBZMHMACEVDZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.21
Rot. Bonds2

About 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one

2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one (PubChem CID 4319233) has the molecular formula C18H12O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one
PubChem CID4319233
Molecular FormulaC18H12O2S2
Molecular Weight324.43 g/mol
Exact Mass324.03
IUPAC Name2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one
SMILESO=C1C(=Cc2cccs2)C(c2cccs2)Oc2ccccc21
InChIInChI=1S/C18H12O2S2/c19-17-13-6-1-2-7-15(13)20-18(16-8-4-10-22-16)14(17)11-12-5-3-9-21-12/h1-11,18H
InChIKeyLVBBZMHMACEVDZ-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one?
The IUPAC name of 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one (CID 4319233) is 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one.
What is the SMILES notation for 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one?
The canonical SMILES for 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one is O=C1C(=Cc2cccs2)C(c2cccs2)Oc2ccccc21.
What is the InChIKey of 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one?
The InChIKey is LVBBZMHMACEVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2S2/c19-17-13-6-1-2-7-15(13)20-18(16-8-4-10-22-16)14(17)11-12-5-3-9-21-12/h1-11,18H.
What are the key properties of 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one?
2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one has a molecular weight of 324.43 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one is sourced from PubChem (CID 4319233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).