2H-1-benzofuran-4-one

C8H6O2 — CID 21326097

IUPAC2H-1-benzofuran-4-one
SMILESO=C1C=CC=C2OCC=C12
InChIInChI=1S/C8H6O2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-4H,5H2
InChIKeyNGJFUKDDIUKCEB-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.97
Rot. Bonds

About 2H-1-benzofuran-4-one

2H-1-benzofuran-4-one (PubChem CID 21326097) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2H-1-benzofuran-4-one.

Molecular Properties

Compound Name2H-1-benzofuran-4-one
PubChem CID21326097
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name2H-1-benzofuran-4-one
SMILESO=C1C=CC=C2OCC=C12
InChIInChI=1S/C8H6O2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-4H,5H2
InChIKeyNGJFUKDDIUKCEB-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-1-benzofuran-4-one?
The IUPAC name of 2H-1-benzofuran-4-one (CID 21326097) is 2H-1-benzofuran-4-one.
What is the SMILES notation for 2H-1-benzofuran-4-one?
The canonical SMILES for 2H-1-benzofuran-4-one is O=C1C=CC=C2OCC=C12.
What is the InChIKey of 2H-1-benzofuran-4-one?
The InChIKey is NGJFUKDDIUKCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-4H,5H2.
What are the key properties of 2H-1-benzofuran-4-one?
2H-1-benzofuran-4-one has a molecular weight of 134.13 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1-benzofuran-4-one is sourced from PubChem (CID 21326097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).