(E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one

C19H12O3 — CID 102303777

IUPAC(E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H12O3/c20-17(9-8-14-5-3-11-21-14)19-12-16-15-6-2-1-4-13(15)7-10-18(16)22-19/h1-12H/b9-8+
InChIKeyIHTCFXDNLBFOQZ-CMDGGOBGSA-N
MW288.30 g/mol
LogP5.08
Rot. Bonds3

About (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one

(E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 102303777) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one
PubChem CID102303777
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name(E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H12O3/c20-17(9-8-14-5-3-11-21-14)19-12-16-15-6-2-1-4-13(15)7-10-18(16)22-19/h1-12H/b9-8+
InChIKeyIHTCFXDNLBFOQZ-CMDGGOBGSA-N
XLogP5.08
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.30
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-benzo[e][1]benzofuran-2-yl-3-(4-methylphenyl)prop-2-en-1-one
CID 139233689
1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one
CID 1481654
N'-(furan-2-carbonyl)benzo[e][1]benzofuran-2-carbohydrazide
CID 3761855
3-benzo[e][1]benzofuran-2-ylprop-2-enoic acid
CID 86165631
N,N-dimethylbenzo[e][1]benzofuran-2-carboxamide
CID 2990859
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153
(E)-3-(furan-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)prop-2-enamide
CID 60619076
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 13402801
CID 59090942
CID 59090942

Frequently Asked Questions

What is the IUPAC name of (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one (CID 102303777) is (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is IHTCFXDNLBFOQZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H12O3/c20-17(9-8-14-5-3-11-21-14)19-12-16-15-6-2-1-4-13(15)7-10-18(16)22-19/h1-12H/b9-8+.
What are the key properties of (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 288.30 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 102303777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).