3H-furo[2,3-f][1,2]benzodioxole

C9H6O3 — CID 88800472

IUPAC3H-furo[2,3-f][1,2]benzodioxole
SMILESc1cc2cc3c(cc2o1)COO3
InChIInChI=1S/C9H6O3/c1-2-10-8-4-7-5-11-12-9(7)3-6(1)8/h1-4H,5H2
InChIKeyLWXDFXZBZMLOEV-UHFFFAOYSA-N
MW162.14 g/mol
LogP2.26
Rot. Bonds

About 3H-furo[2,3-f][1,2]benzodioxole

3H-furo[2,3-f][1,2]benzodioxole (PubChem CID 88800472) has the molecular formula C9H6O3 and a molecular weight of 162.14 g/mol. Its IUPAC name is 3H-furo[2,3-f][1,2]benzodioxole.

Molecular Properties

Compound Name3H-furo[2,3-f][1,2]benzodioxole
PubChem CID88800472
Molecular FormulaC9H6O3
Molecular Weight162.14 g/mol
Exact Mass162.03
IUPAC Name3H-furo[2,3-f][1,2]benzodioxole
SMILESc1cc2cc3c(cc2o1)COO3
InChIInChI=1S/C9H6O3/c1-2-10-8-4-7-5-11-12-9(7)3-6(1)8/h1-4H,5H2
InChIKeyLWXDFXZBZMLOEV-UHFFFAOYSA-N
XLogP2.26
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7,8,9-Tetrahydro-2-dibenzofuranol
CID 121024
5-Methoxybenzofuran
CID 25943
Benzofuran-5-ol
CID 11651159
2-(6-Methyl-1-benzofuran-3-yl)acetic acid
CID 877801
Corsifuran C
CID 11161125
2-Benzofurancarboxaldehyde, 5-methoxy-
CID 31663
3-Methyl-1-benzofuran-5-ol
CID 13542526
2,8-Dimethoxydibenzofuran
CID 458262
3-Furfurylhydroquinone
CID 11019639
(5-Hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone
CID 787459
2-[(Z)-heptadec-12-enyl]-1-benzofuran-5-ol
CID 156016589
(5-Methoxy-3-benzofuranyl)phenylmethanone
CID 619852

Frequently Asked Questions

What is the IUPAC name of 3H-furo[2,3-f][1,2]benzodioxole?
The IUPAC name of 3H-furo[2,3-f][1,2]benzodioxole (CID 88800472) is 3H-furo[2,3-f][1,2]benzodioxole.
What is the SMILES notation for 3H-furo[2,3-f][1,2]benzodioxole?
The canonical SMILES for 3H-furo[2,3-f][1,2]benzodioxole is c1cc2cc3c(cc2o1)COO3.
What is the InChIKey of 3H-furo[2,3-f][1,2]benzodioxole?
The InChIKey is LWXDFXZBZMLOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3/c1-2-10-8-4-7-5-11-12-9(7)3-6(1)8/h1-4H,5H2.
What are the key properties of 3H-furo[2,3-f][1,2]benzodioxole?
3H-furo[2,3-f][1,2]benzodioxole has a molecular weight of 162.14 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-furo[2,3-f][1,2]benzodioxole is sourced from PubChem (CID 88800472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).