1-benzofuran

C8H6O — CID 9223

IUPAC1-benzofuran
SMILESc1ccc2occc2c1
InChIInChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKeyIANQTJSKSUMEQM-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.43
Rot. Bonds

About 1-benzofuran

1-benzofuran (PubChem CID 9223) has the molecular formula C8H6O and a molecular weight of 118.13 g/mol. Its IUPAC name is 1-benzofuran.

Molecular Properties

Compound Name1-benzofuran
PubChem CID9223
Molecular FormulaC8H6O
Molecular Weight118.13 g/mol
Exact Mass118.04
IUPAC Name1-benzofuran
SMILESc1ccc2occc2c1
InChIInChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKeyIANQTJSKSUMEQM-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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Related Compounds

Dibenzofuran
CID 568
2-Benzofurancarboxaldehyde
CID 61341
Anthocyanins
CID 145858
2,3-Dimethylbenzofuran
CID 2734646
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
2-Methylbenzofuran
CID 20263
Benzaldehyde, 2-ethoxy-
CID 11950
2-Acetylbenzofuran
CID 15435
2,5-Diphenylfuran
CID 70387
Benzo[b]furan-2-boronic acid
CID 2776266
1-Benzofuran-5-carbaldehyde
CID 2773875
5-Methoxybenzofuran
CID 25943

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran?
The IUPAC name of 1-benzofuran (CID 9223) is 1-benzofuran.
What is the SMILES notation for 1-benzofuran?
The canonical SMILES for 1-benzofuran is c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran?
The InChIKey is IANQTJSKSUMEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H.
What are the key properties of 1-benzofuran?
1-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 1-benzofuran is sourced from PubChem (CID 9223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).