4H-1-benzofuran-2-one

C8H6O2 — CID 57430039

IUPAC4H-1-benzofuran-2-one
SMILESO=C1C=C2CC=CC=C2O1
InChIInChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-2,4-5H,3H2
InChIKeyPWPSOYGLESTGEU-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.31
Rot. Bonds

About 4H-1-benzofuran-2-one

4H-1-benzofuran-2-one (PubChem CID 57430039) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 4H-1-benzofuran-2-one.

Molecular Properties

Compound Name4H-1-benzofuran-2-one
PubChem CID57430039
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name4H-1-benzofuran-2-one
SMILESO=C1C=C2CC=CC=C2O1
InChIInChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-2,4-5H,3H2
InChIKeyPWPSOYGLESTGEU-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-1-benzofuran-2-one?
The IUPAC name of 4H-1-benzofuran-2-one (CID 57430039) is 4H-1-benzofuran-2-one.
What is the SMILES notation for 4H-1-benzofuran-2-one?
The canonical SMILES for 4H-1-benzofuran-2-one is O=C1C=C2CC=CC=C2O1.
What is the InChIKey of 4H-1-benzofuran-2-one?
The InChIKey is PWPSOYGLESTGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-2,4-5H,3H2.
What are the key properties of 4H-1-benzofuran-2-one?
4H-1-benzofuran-2-one has a molecular weight of 134.13 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1-benzofuran-2-one is sourced from PubChem (CID 57430039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).