1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

C19H14O4 — CID 3907215

IUPAC1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc2c(c1)OCCO2)c1cc2ccccc2o1
InChIInChI=1S/C19H14O4/c20-15(18-12-14-3-1-2-4-16(14)23-18)7-5-13-6-8-17-19(11-13)22-10-9-21-17/h1-8,11-12H,9-10H2
InChIKeyIDFAZSZLKUMPMI-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.10
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one (PubChem CID 3907215) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
PubChem CID3907215
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc2c(c1)OCCO2)c1cc2ccccc2o1
InChIInChI=1S/C19H14O4/c20-15(18-12-14-3-1-2-4-16(14)23-18)7-5-13-6-8-17-19(11-13)22-10-9-21-17/h1-8,11-12H,9-10H2
InChIKeyIDFAZSZLKUMPMI-UHFFFAOYSA-N
XLogP4.10
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one with MolForge

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 169481919
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4552324
(E)-1-(1-benzofuran-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6040937
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-en-1-one
CID 6019404
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl chloride
CID 95927945
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoic acid;hydrochloride
CID 175105253
1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4041105
(E)-1-(1-benzofuran-2-yl)-3-(4-ethyl-3-nitrophenyl)prop-2-en-1-one
CID 7947961
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
CID 2603932
(E)-3-(1,3-benzodioxol-5-yl)-N-[(E)-1-benzofuran-2-ylmethylideneamino]prop-2-enamide
CID 45109234
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 3581369
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-hydroxy-N-methylprop-2-enamide
CID 54468623

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one (CID 3907215) is 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is O=C(C=Cc1ccc2c(c1)OCCO2)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one?
The InChIKey is IDFAZSZLKUMPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c20-15(18-12-14-3-1-2-4-16(14)23-18)7-5-13-6-8-17-19(11-13)22-10-9-21-17/h1-8,11-12H,9-10H2.
What are the key properties of 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one?
1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one has a molecular weight of 306.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is sourced from PubChem (CID 3907215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).