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

C14H10O2S — CID 2305454

IUPAC(3E)-3-(thiophen-2-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C/c2cccs2)COc2ccccc21
InChIInChI=1S/C14H10O2S/c15-14-10(8-11-4-3-7-17-11)9-16-13-6-2-1-5-12(13)14/h1-8H,9H2/b10-8+
InChIKeyZNSDCNJMPKNYLO-CSKARUKUSA-N
MW242.30 g/mol
LogP3.41
Rot. Bonds1

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

(3E)-3-(thiophen-2-ylmethylidene)chromen-4-one (PubChem CID 2305454) has the molecular formula C14H10O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is (3E)-3-(thiophen-2-ylmethylidene)chromen-4-one.

Molecular Properties

Compound Name(3E)-3-(thiophen-2-ylmethylidene)chromen-4-one
PubChem CID2305454
Molecular FormulaC14H10O2S
Molecular Weight242.30 g/mol
Exact Mass242.04
IUPAC Name(3E)-3-(thiophen-2-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C/c2cccs2)COc2ccccc21
InChIInChI=1S/C14H10O2S/c15-14-10(8-11-4-3-7-17-11)9-16-13-6-2-1-5-12(13)14/h1-8H,9H2/b10-8+
InChIKeyZNSDCNJMPKNYLO-CSKARUKUSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3E)-3-(thiophen-2-ylmethylidene)chromen-4-one?
The IUPAC name of (3E)-3-(thiophen-2-ylmethylidene)chromen-4-one (CID 2305454) is (3E)-3-(thiophen-2-ylmethylidene)chromen-4-one.
What is the SMILES notation for (3E)-3-(thiophen-2-ylmethylidene)chromen-4-one?
The canonical SMILES for (3E)-3-(thiophen-2-ylmethylidene)chromen-4-one is O=C1/C(=C/c2cccs2)COc2ccccc21.
What is the InChIKey of (3E)-3-(thiophen-2-ylmethylidene)chromen-4-one?
The InChIKey is ZNSDCNJMPKNYLO-CSKARUKUSA-N. The full InChI is InChI=1S/C14H10O2S/c15-14-10(8-11-4-3-7-17-11)9-16-13-6-2-1-5-12(13)14/h1-8H,9H2/b10-8+.
What are the key properties of (3E)-3-(thiophen-2-ylmethylidene)chromen-4-one?
(3E)-3-(thiophen-2-ylmethylidene)chromen-4-one has a molecular weight of 242.30 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(thiophen-2-ylmethylidene)chromen-4-one is sourced from PubChem (CID 2305454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).