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

C14H10O2S — CID 134153484

IUPAC6-(5-methylthiophen-2-yl)chromen-2-one
SMILESCc1ccc(-c2ccc3oc(=O)ccc3c2)s1
InChIInChI=1S/C14H10O2S/c1-9-2-6-13(17-9)11-3-5-12-10(8-11)4-7-14(15)16-12/h2-8H,1H3
InChIKeyHJCFEOGFVGBOHS-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.83
Rot. Bonds1

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

6-(5-methylthiophen-2-yl)chromen-2-one (PubChem CID 134153484) has the molecular formula C14H10O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)chromen-2-one.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)chromen-2-one
PubChem CID134153484
Molecular FormulaC14H10O2S
Molecular Weight242.30 g/mol
Exact Mass242.04
IUPAC Name6-(5-methylthiophen-2-yl)chromen-2-one
SMILESCc1ccc(-c2ccc3oc(=O)ccc3c2)s1
InChIInChI=1S/C14H10O2S/c1-9-2-6-13(17-9)11-3-5-12-10(8-11)4-7-14(15)16-12/h2-8H,1H3
InChIKeyHJCFEOGFVGBOHS-UHFFFAOYSA-N
XLogP3.83
TPSA30.21 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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(5-methylthiophen-2-yl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)chromen-2-one?
The IUPAC name of 6-(5-methylthiophen-2-yl)chromen-2-one (CID 134153484) is 6-(5-methylthiophen-2-yl)chromen-2-one.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)chromen-2-one?
The canonical SMILES for 6-(5-methylthiophen-2-yl)chromen-2-one is Cc1ccc(-c2ccc3oc(=O)ccc3c2)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)chromen-2-one?
The InChIKey is HJCFEOGFVGBOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S/c1-9-2-6-13(17-9)11-3-5-12-10(8-11)4-7-14(15)16-12/h2-8H,1H3.
What are the key properties of 6-(5-methylthiophen-2-yl)chromen-2-one?
6-(5-methylthiophen-2-yl)chromen-2-one has a molecular weight of 242.30 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)chromen-2-one is sourced from PubChem (CID 134153484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).