7-(1-ethoxyethenyl)-4H-chromen-3-one

C13H14O3 — CID 167680713

IUPAC7-(1-ethoxyethenyl)-4H-chromen-3-one
SMILESC=C(OCC)c1ccc2c(c1)OCC(=O)C2
InChIInChI=1S/C13H14O3/c1-3-15-9(2)10-4-5-11-6-12(14)8-16-13(11)7-10/h4-5,7H,2-3,6,8H2,1H3
InChIKeyWZZLFXUCDLTFGB-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.20
Rot. Bonds3

About 7-(1-ethoxyethenyl)-4H-chromen-3-one

7-(1-ethoxyethenyl)-4H-chromen-3-one (PubChem CID 167680713) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 7-(1-ethoxyethenyl)-4H-chromen-3-one.

Molecular Properties

Compound Name7-(1-ethoxyethenyl)-4H-chromen-3-one
PubChem CID167680713
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name7-(1-ethoxyethenyl)-4H-chromen-3-one
SMILESC=C(OCC)c1ccc2c(c1)OCC(=O)C2
InChIInChI=1S/C13H14O3/c1-3-15-9(2)10-4-5-11-6-12(14)8-16-13(11)7-10/h4-5,7H,2-3,6,8H2,1H3
InChIKeyWZZLFXUCDLTFGB-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 7-(1-ethoxyethenyl)-4H-chromen-3-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-(1-ethoxyethenyl)-4H-chromen-3-one?
The IUPAC name of 7-(1-ethoxyethenyl)-4H-chromen-3-one (CID 167680713) is 7-(1-ethoxyethenyl)-4H-chromen-3-one.
What is the SMILES notation for 7-(1-ethoxyethenyl)-4H-chromen-3-one?
The canonical SMILES for 7-(1-ethoxyethenyl)-4H-chromen-3-one is C=C(OCC)c1ccc2c(c1)OCC(=O)C2.
What is the InChIKey of 7-(1-ethoxyethenyl)-4H-chromen-3-one?
The InChIKey is WZZLFXUCDLTFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-3-15-9(2)10-4-5-11-6-12(14)8-16-13(11)7-10/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 7-(1-ethoxyethenyl)-4H-chromen-3-one?
7-(1-ethoxyethenyl)-4H-chromen-3-one has a molecular weight of 218.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethoxyethenyl)-4H-chromen-3-one is sourced from PubChem (CID 167680713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).