2-benzofuran;ethenone

C10H8O2 — CID 175285039

IUPAC2-benzofuran;ethenone
SMILESC=C=O.c1ccc2cocc2c1
InChIInChI=1S/C8H6O.C2H2O/c1-2-4-8-6-9-5-7(8)3-1;1-2-3/h1-6H;1H2
InChIKeyCHNQSIGIQYIROE-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.44
Rot. Bonds

About 2-benzofuran;ethenone

2-benzofuran;ethenone (PubChem CID 175285039) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-benzofuran;ethenone.

Molecular Properties

Compound Name2-benzofuran;ethenone
PubChem CID175285039
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name2-benzofuran;ethenone
SMILESC=C=O.c1ccc2cocc2c1
InChIInChI=1S/C8H6O.C2H2O/c1-2-4-8-6-9-5-7(8)3-1;1-2-3/h1-6H;1H2
InChIKeyCHNQSIGIQYIROE-UHFFFAOYSA-N
XLogP2.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzofuran;ethenone?
The IUPAC name of 2-benzofuran;ethenone (CID 175285039) is 2-benzofuran;ethenone.
What is the SMILES notation for 2-benzofuran;ethenone?
The canonical SMILES for 2-benzofuran;ethenone is C=C=O.c1ccc2cocc2c1.
What is the InChIKey of 2-benzofuran;ethenone?
The InChIKey is CHNQSIGIQYIROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C2H2O/c1-2-4-8-6-9-5-7(8)3-1;1-2-3/h1-6H;1H2.
What are the key properties of 2-benzofuran;ethenone?
2-benzofuran;ethenone has a molecular weight of 160.17 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran;ethenone is sourced from PubChem (CID 175285039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).