2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

C20H14O3 — CID 101138704

IUPAC2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
SMILESO=C1C2=C(OC(/C=C/c3ccccc3)C2)C(=O)c2ccccc21
InChIInChI=1S/C20H14O3/c21-18-15-8-4-5-9-16(15)19(22)20-17(18)12-14(23-20)11-10-13-6-2-1-3-7-13/h1-11,14H,12H2/b11-10+
InChIKeyAATNKPJLWVMMGQ-ZHACJKMWSA-N
MW302.33 g/mol
LogP3.82
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione (PubChem CID 101138704) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
PubChem CID101138704
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
SMILESO=C1C2=C(OC(/C=C/c3ccccc3)C2)C(=O)c2ccccc21
InChIInChI=1S/C20H14O3/c21-18-15-8-4-5-9-16(15)19(22)20-17(18)12-14(23-20)11-10-13-6-2-1-3-7-13/h1-11,14H,12H2/b11-10+
InChIKeyAATNKPJLWVMMGQ-ZHACJKMWSA-N
XLogP3.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione with MolForge

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Related Compounds

(3S)-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162808864
(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 163190912
(3S)-6-methoxy-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162809905
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(8R)-4-methyl-8-[(E)-2-phenylethenyl]-8,9-dihydrofuro[2,3-h]chromen-2-one
CID 11044919
(1R,5R,7R)-7-(2-phenylethenyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 146001300
(4,9-dioxo-2,3-dihydrobenzo[f][1]benzofuran-2-yl) acetate
CID 10658838
(3R)-3-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydroisochromen-1-one
CID 7055609
2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 175916705

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione (CID 101138704) is 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione is O=C1C2=C(OC(/C=C/c3ccccc3)C2)C(=O)c2ccccc21.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The InChIKey is AATNKPJLWVMMGQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H14O3/c21-18-15-8-4-5-9-16(15)19(22)20-17(18)12-14(23-20)11-10-13-6-2-1-3-7-13/h1-11,14H,12H2/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione has a molecular weight of 302.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 101138704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).