1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one

C24H16O4 — CID 159257959

IUPAC1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one
SMILESO=C1OCc2c1ccc1ccccc21.O=C1OCc2ccc3ccccc3c21
InChIInChI=1S/2C12H8O2/c13-12-11-9(7-14-12)6-5-8-3-1-2-4-10(8)11;13-12-10-6-5-8-3-1-2-4-9(8)11(10)7-14-12/h2*1-6H,7H2
InChIKeyKWDJUZNWVFQZDI-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.02
Rot. Bonds

About 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one

1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one (PubChem CID 159257959) has the molecular formula C24H16O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one.

Molecular Properties

Compound Name1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one
PubChem CID159257959
Molecular FormulaC24H16O4
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Name1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one
SMILESO=C1OCc2c1ccc1ccccc21.O=C1OCc2ccc3ccccc3c21
InChIInChI=1S/2C12H8O2/c13-12-11-9(7-14-12)6-5-8-3-1-2-4-10(8)11;13-12-10-6-5-8-3-1-2-4-9(8)11(10)7-14-12/h2*1-6H,7H2
InChIKeyKWDJUZNWVFQZDI-UHFFFAOYSA-N
XLogP5.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one?
The IUPAC name of 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one (CID 159257959) is 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one.
What is the SMILES notation for 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one?
The canonical SMILES for 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one is O=C1OCc2c1ccc1ccccc21.O=C1OCc2ccc3ccccc3c21.
What is the InChIKey of 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one?
The InChIKey is KWDJUZNWVFQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8O2/c13-12-11-9(7-14-12)6-5-8-3-1-2-4-10(8)11;13-12-10-6-5-8-3-1-2-4-9(8)11(10)7-14-12/h2*1-6H,7H2.
What are the key properties of 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one?
1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one has a molecular weight of 368.39 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[e][2]benzofuran-3-one;3H-benzo[g][2]benzofuran-1-one is sourced from PubChem (CID 159257959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).