2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

C18H12O3 — CID 14841863

IUPAC2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
SMILESO=C1C2=C(OC(c3ccccc3)C2)C(=O)c2ccccc21
InChIInChI=1S/C18H12O3/c19-16-12-8-4-5-9-13(12)17(20)18-14(16)10-15(21-18)11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyONVBHTYYVYXDIS-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.48
Rot. Bonds1

About 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione (PubChem CID 14841863) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
PubChem CID14841863
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Name2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
SMILESO=C1C2=C(OC(c3ccccc3)C2)C(=O)c2ccccc21
InChIInChI=1S/C18H12O3/c19-16-12-8-4-5-9-13(12)17(20)18-14(16)10-15(21-18)11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyONVBHTYYVYXDIS-UHFFFAOYSA-N
XLogP3.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dihydrotanshinone I
CID 11425923
Cryptotanshinone
CID 160254
Xyloidone
CID 72734
Fluorescamine
CID 37927
1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro(1,2-b)furan-10,11-dione
CID 496348
3-Phenylphthalide
CID 95365
Q 22 2,3-Dihydro-2-(1-methylethenyl)naphtho(1,2-B)furan-4,5-dione
CID 4301570
Benzoin ethyl ether
CID 101778
4-Ethoxynaphthalene-1,2-dione
CID 343759
1,6-Dimethyl-1,2-Dihydronaphtho(1,2-G)(1)Benzofuran-10,11-Dione
CID 5316743
2-Isopropenyl-2,3-dihydronaphtho[2,3-b]furan-4,9-dione
CID 364109
Ethyl 2-benzoylbenzoate
CID 221768

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione (CID 14841863) is 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione is O=C1C2=C(OC(c3ccccc3)C2)C(=O)c2ccccc21.
What is the InChIKey of 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The InChIKey is ONVBHTYYVYXDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3/c19-16-12-8-4-5-9-13(12)17(20)18-14(16)10-15(21-18)11-6-2-1-3-7-11/h1-9,15H,10H2.
What are the key properties of 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione has a molecular weight of 276.29 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 14841863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).