3H-2-benzofuran-1-one

C8H6O2 — CID 6885

IUPAC3H-2-benzofuran-1-one
SMILESO=C1OCc2ccccc21
InChIInChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InChIKeyWNZQDUSMALZDQF-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.36
Rot. Bonds

About 3H-2-benzofuran-1-one

3H-2-benzofuran-1-one (PubChem CID 6885) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3H-2-benzofuran-1-one
PubChem CID6885
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name3H-2-benzofuran-1-one
SMILESO=C1OCc2ccccc21
InChIInChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InChIKeyWNZQDUSMALZDQF-UHFFFAOYSA-N
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-2-benzofuran-1-one?
The IUPAC name of 3H-2-benzofuran-1-one (CID 6885) is 3H-2-benzofuran-1-one.
What is the SMILES notation for 3H-2-benzofuran-1-one?
The canonical SMILES for 3H-2-benzofuran-1-one is O=C1OCc2ccccc21.
What is the InChIKey of 3H-2-benzofuran-1-one?
The InChIKey is WNZQDUSMALZDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2.
What are the key properties of 3H-2-benzofuran-1-one?
3H-2-benzofuran-1-one has a molecular weight of 134.13 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-2-benzofuran-1-one is sourced from PubChem (CID 6885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).