3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one

C28H25FO5 — CID 2024211

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one (PubChem CID 2024211) has the molecular formula C28H25FO5 and a molecular weight of 460.50 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one
• PubChem CID: 2024211
• Molecular Formula: C28H25FO5
• Molecular Weight: 460.50 g/mol
• Exact Mass: 460.17
• IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one
• SMILES: CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OCc1ccc(F)cc1
• InChI: InChI=1S/C28H25FO5/c1-3-4-19-13-22-25(15-24(19)33-16-18-5-8-21(29)9-6-18)34-17(2)27(28(22)30)20-7-10-23-26(14-20)32-12-11-31-23/h5-10,13-15H,3-4,11-12,16H2,1-2H3
• InChIKey: JWHNNLOUKULDOQ-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 57.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.50
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one?

The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one (CID 2024211) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one.

What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one?

The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one is CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OCc1ccc(F)cc1.

What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one?

The InChIKey is JWHNNLOUKULDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FO5/c1-3-4-19-13-22-25(15-24(19)33-16-18-5-8-21(29)9-6-18)34-17(2)27(28(22)30)20-7-10-23-26(14-20)32-12-11-31-23/h5-10,13-15H,3-4,11-12,16H2,1-2H3.

What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one?

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one has a molecular weight of 460.50 g/mol, XLogP of 6.21, 6 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)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one is sourced from PubChem (CID 2024211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).