(E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one

C24H20F2O4 — CID 19542894

About (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one

(E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one (PubChem CID 19542894) has the molecular formula C24H20F2O4 and a molecular weight of 410.42 g/mol. Its IUPAC name is (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one
• PubChem CID: 19542894
• Molecular Formula: C24H20F2O4
• Molecular Weight: 410.42 g/mol
• Exact Mass: 410.13
• IUPAC Name: (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one
• SMILES: O=C(/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(OC(F)F)cc1
• InChI: InChI=1S/C24H20F2O4/c25-24(26)30-20-7-5-17(6-8-20)23(27)13-12-19-10-11-22(29-19)15-28-21-9-4-16-2-1-3-18(16)14-21/h4-14,24H,1-3,15H2/b13-12+
• InChIKey: IWQZSWFUBRNHNO-OUKQBFOZSA-N
• XLogP: 5.84
• TPSA: 48.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.42
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one?

The IUPAC name of (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one (CID 19542894) is (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one.

What is the SMILES notation for (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one?

The canonical SMILES for (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one is O=C(/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(OC(F)F)cc1.

What is the InChIKey of (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one?

The InChIKey is IWQZSWFUBRNHNO-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H20F2O4/c25-24(26)30-20-7-5-17(6-8-20)23(27)13-12-19-10-11-22(29-19)15-28-21-9-4-16-2-1-3-18(16)14-21/h4-14,24H,1-3,15H2/b13-12+.

What are the key properties of (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one?

(E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one has a molecular weight of 410.42 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[4-(difluoromethoxy)phenyl]-3-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 19542894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).