benzo[e][1]benzofuran-1-one

C12H8O2 — CID 1471585

IUPACbenzo[e][1]benzofuran-1-one
SMILESO=C1COc2ccc3ccccc3c21
InChIInChI=1S/C12H8O2/c13-10-7-14-11-6-5-8-3-1-2-4-9(8)12(10)11/h1-6H,7H2
InChIKeyIONYAPWXJUCNPR-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.41
Rot. Bonds

About benzo[e][1]benzofuran-1-one

benzo[e][1]benzofuran-1-one (PubChem CID 1471585) has the molecular formula C12H8O2 and a molecular weight of 184.19 g/mol. Its IUPAC name is benzo[e][1]benzofuran-1-one.

Molecular Properties

Compound Namebenzo[e][1]benzofuran-1-one
PubChem CID1471585
Molecular FormulaC12H8O2
Molecular Weight184.19 g/mol
Exact Mass184.05
IUPAC Namebenzo[e][1]benzofuran-1-one
SMILESO=C1COc2ccc3ccccc3c21
InChIInChI=1S/C12H8O2/c13-10-7-14-11-6-5-8-3-1-2-4-9(8)12(10)11/h1-6H,7H2
InChIKeyIONYAPWXJUCNPR-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[e][1]benzofuran-1-one?
The IUPAC name of benzo[e][1]benzofuran-1-one (CID 1471585) is benzo[e][1]benzofuran-1-one.
What is the SMILES notation for benzo[e][1]benzofuran-1-one?
The canonical SMILES for benzo[e][1]benzofuran-1-one is O=C1COc2ccc3ccccc3c21.
What is the InChIKey of benzo[e][1]benzofuran-1-one?
The InChIKey is IONYAPWXJUCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2/c13-10-7-14-11-6-5-8-3-1-2-4-9(8)12(10)11/h1-6H,7H2.
What are the key properties of benzo[e][1]benzofuran-1-one?
benzo[e][1]benzofuran-1-one has a molecular weight of 184.19 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1]benzofuran-1-one is sourced from PubChem (CID 1471585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).