3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one

C20H20O5 — CID 3848928

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one
SMILESCCc1cc2c(cc1OC)OCC(c1ccc3c(c1)OCCO3)C2=O
InChIInChI=1S/C20H20O5/c1-3-12-8-14-18(10-17(12)22-2)25-11-15(20(14)21)13-4-5-16-19(9-13)24-7-6-23-16/h4-5,8-10,15H,3,6-7,11H2,1-2H3
InChIKeySLQURPJPMAHPRX-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.39
Rot. Bonds3

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 3848928) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID3848928
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one
SMILESCCc1cc2c(cc1OC)OCC(c1ccc3c(c1)OCCO3)C2=O
InChIInChI=1S/C20H20O5/c1-3-12-8-14-18(10-17(12)22-2)25-11-15(20(14)21)13-4-5-16-19(9-13)24-7-6-23-16/h4-5,8-10,15H,3,6-7,11H2,1-2H3
InChIKeySLQURPJPMAHPRX-UHFFFAOYSA-N
XLogP3.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-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 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one (CID 3848928) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one is CCc1cc2c(cc1OC)OCC(c1ccc3c(c1)OCCO3)C2=O.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is SLQURPJPMAHPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-3-12-8-14-18(10-17(12)22-2)25-11-15(20(14)21)13-4-5-16-19(9-13)24-7-6-23-16/h4-5,8-10,15H,3,6-7,11H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 340.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 3848928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).