6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one

C15H12O2S — CID 838795

IUPAC6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(=Cc1cccs1)CO2
InChIInChI=1S/C15H12O2S/c1-10-4-5-14-13(7-10)15(16)11(9-17-14)8-12-3-2-6-18-12/h2-8H,9H2,1H3
InChIKeyFYZQQQPKRCSGSW-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.72
Rot. Bonds1

About 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one

6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one (PubChem CID 838795) has the molecular formula C15H12O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one.

Molecular Properties

Compound Name6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one
PubChem CID838795
Molecular FormulaC15H12O2S
Molecular Weight256.33 g/mol
Exact Mass256.06
IUPAC Name6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(=Cc1cccs1)CO2
InChIInChI=1S/C15H12O2S/c1-10-4-5-14-13(7-10)15(16)11(9-17-14)8-12-3-2-6-18-12/h2-8H,9H2,1H3
InChIKeyFYZQQQPKRCSGSW-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.72
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 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one?
The IUPAC name of 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one (CID 838795) is 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one.
What is the SMILES notation for 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one?
The canonical SMILES for 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one is Cc1ccc2c(c1)C(=O)C(=Cc1cccs1)CO2.
What is the InChIKey of 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one?
The InChIKey is FYZQQQPKRCSGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S/c1-10-4-5-14-13(7-10)15(16)11(9-17-14)8-12-3-2-6-18-12/h2-8H,9H2,1H3.
What are the key properties of 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one?
6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one has a molecular weight of 256.33 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one is sourced from PubChem (CID 838795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).