2-benzofuran

C8H6O — CID 11378474

IUPAC2-benzofuran
SMILESc1ccc2cocc2c1
InChIInChI=1S/C8H6O/c1-2-4-8-6-9-5-7(8)3-1/h1-6H
InChIKeyUXGVMFHEKMGWMA-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.43
Rot. Bonds

About 2-benzofuran

2-benzofuran (PubChem CID 11378474) has the molecular formula C8H6O and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-benzofuran.

Molecular Properties

Compound Name2-benzofuran
PubChem CID11378474
Molecular FormulaC8H6O
Molecular Weight118.13 g/mol
Exact Mass118.04
IUPAC Name2-benzofuran
SMILESc1ccc2cocc2c1
InChIInChI=1S/C8H6O/c1-2-4-8-6-9-5-7(8)3-1/h1-6H
InChIKeyUXGVMFHEKMGWMA-UHFFFAOYSA-N
XLogP2.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzofuran?
The IUPAC name of 2-benzofuran (CID 11378474) is 2-benzofuran.
What is the SMILES notation for 2-benzofuran?
The canonical SMILES for 2-benzofuran is c1ccc2cocc2c1.
What is the InChIKey of 2-benzofuran?
The InChIKey is UXGVMFHEKMGWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O/c1-2-4-8-6-9-5-7(8)3-1/h1-6H.
What are the key properties of 2-benzofuran?
2-benzofuran has a molecular weight of 118.13 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran is sourced from PubChem (CID 11378474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).