6-(5-acetylthiophen-2-yl)chromen-2-one

C15H10O3S — CID 134146863

IUPAC6-(5-acetylthiophen-2-yl)chromen-2-one
SMILESCC(=O)c1ccc(-c2ccc3oc(=O)ccc3c2)s1
InChIInChI=1S/C15H10O3S/c1-9(16)13-5-6-14(19-13)11-2-4-12-10(8-11)3-7-15(17)18-12/h2-8H,1H3
InChIKeyGERAGFCKSZQWNG-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.72
Rot. Bonds2

About 6-(5-acetylthiophen-2-yl)chromen-2-one

6-(5-acetylthiophen-2-yl)chromen-2-one (PubChem CID 134146863) has the molecular formula C15H10O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-(5-acetylthiophen-2-yl)chromen-2-one.

Molecular Properties

Compound Name6-(5-acetylthiophen-2-yl)chromen-2-one
PubChem CID134146863
Molecular FormulaC15H10O3S
Molecular Weight270.31 g/mol
Exact Mass270.04
IUPAC Name6-(5-acetylthiophen-2-yl)chromen-2-one
SMILESCC(=O)c1ccc(-c2ccc3oc(=O)ccc3c2)s1
InChIInChI=1S/C15H10O3S/c1-9(16)13-5-6-14(19-13)11-2-4-12-10(8-11)3-7-15(17)18-12/h2-8H,1H3
InChIKeyGERAGFCKSZQWNG-UHFFFAOYSA-N
XLogP3.72
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-acetylthiophen-2-yl)chromen-2-one?
The IUPAC name of 6-(5-acetylthiophen-2-yl)chromen-2-one (CID 134146863) is 6-(5-acetylthiophen-2-yl)chromen-2-one.
What is the SMILES notation for 6-(5-acetylthiophen-2-yl)chromen-2-one?
The canonical SMILES for 6-(5-acetylthiophen-2-yl)chromen-2-one is CC(=O)c1ccc(-c2ccc3oc(=O)ccc3c2)s1.
What is the InChIKey of 6-(5-acetylthiophen-2-yl)chromen-2-one?
The InChIKey is GERAGFCKSZQWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3S/c1-9(16)13-5-6-14(19-13)11-2-4-12-10(8-11)3-7-15(17)18-12/h2-8H,1H3.
What are the key properties of 6-(5-acetylthiophen-2-yl)chromen-2-one?
6-(5-acetylthiophen-2-yl)chromen-2-one has a molecular weight of 270.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-acetylthiophen-2-yl)chromen-2-one is sourced from PubChem (CID 134146863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).