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

C19H14O4 — CID 175916705

IUPAC2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
SMILESCOc1ccccc1C1CC2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H14O4/c1-22-15-9-5-4-8-13(15)16-10-14-17(20)11-6-2-3-7-12(11)18(21)19(14)23-16/h2-9,16H,10H2,1H3
InChIKeyFPLKDDGDVJMWFN-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.49
Rot. Bonds2

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

2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione (PubChem CID 175916705) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
PubChem CID175916705
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
SMILESCOc1ccccc1C1CC2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H14O4/c1-22-15-9-5-4-8-13(15)16-10-14-17(20)11-6-2-3-7-12(11)18(21)19(14)23-16/h2-9,16H,10H2,1H3
InChIKeyFPLKDDGDVJMWFN-UHFFFAOYSA-N
XLogP3.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 175310251
(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one
CID 155935569
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
(4,9-dioxo-2,3-dihydrobenzo[f][1]benzofuran-2-yl) acetate
CID 10658838
(2R)-5-methoxy-2-(3-methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 44584420
ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
CID 163229025
(4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
CID 10096336
3-cyclopropyl-5-(2-methoxyphenyl)-1,3-oxazolidin-2-one
CID 82082707
2-amino-4-(2-methoxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 2844703
(2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one
CID 135055167
(4R)-4-(2-methoxyphenyl)oxolan-2-one
CID 125041277

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione (CID 175916705) is 2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione is COc1ccccc1C1CC2=C(O1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The InChIKey is FPLKDDGDVJMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-22-15-9-5-4-8-13(15)16-10-14-17(20)11-6-2-3-7-12(11)18(21)19(14)23-16/h2-9,16H,10H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione has a molecular weight of 306.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 175916705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).