7-methoxy-3-thiophen-2-ylchromen-2-one

C14H10O3S — CID 54580315

IUPAC7-methoxy-3-thiophen-2-ylchromen-2-one
SMILESCOc1ccc2cc(-c3cccs3)c(=O)oc2c1
InChIInChI=1S/C14H10O3S/c1-16-10-5-4-9-7-11(13-3-2-6-18-13)14(15)17-12(9)8-10/h2-8H,1H3
InChIKeyKPDCQGDQRCDXTP-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.53
Rot. Bonds2

About 7-methoxy-3-thiophen-2-ylchromen-2-one

7-methoxy-3-thiophen-2-ylchromen-2-one (PubChem CID 54580315) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 7-methoxy-3-thiophen-2-ylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-thiophen-2-ylchromen-2-one
PubChem CID54580315
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Name7-methoxy-3-thiophen-2-ylchromen-2-one
SMILESCOc1ccc2cc(-c3cccs3)c(=O)oc2c1
InChIInChI=1S/C14H10O3S/c1-16-10-5-4-9-7-11(13-3-2-6-18-13)14(15)17-12(9)8-10/h2-8H,1H3
InChIKeyKPDCQGDQRCDXTP-UHFFFAOYSA-N
XLogP3.53
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methoxy-3-thiophen-2-ylchromen-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 7-methoxy-3-thiophen-2-ylchromen-2-one?
The IUPAC name of 7-methoxy-3-thiophen-2-ylchromen-2-one (CID 54580315) is 7-methoxy-3-thiophen-2-ylchromen-2-one.
What is the SMILES notation for 7-methoxy-3-thiophen-2-ylchromen-2-one?
The canonical SMILES for 7-methoxy-3-thiophen-2-ylchromen-2-one is COc1ccc2cc(-c3cccs3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3-thiophen-2-ylchromen-2-one?
The InChIKey is KPDCQGDQRCDXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c1-16-10-5-4-9-7-11(13-3-2-6-18-13)14(15)17-12(9)8-10/h2-8H,1H3.
What are the key properties of 7-methoxy-3-thiophen-2-ylchromen-2-one?
7-methoxy-3-thiophen-2-ylchromen-2-one has a molecular weight of 258.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-thiophen-2-ylchromen-2-one is sourced from PubChem (CID 54580315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).