7-amino-1-benzofuran-6-ol

C8H7NO2 — CID 83914018

IUPAC7-amino-1-benzofuran-6-ol
SMILESNc1c(O)ccc2ccoc12
InChIInChI=1S/C8H7NO2/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,10H,9H2
InChIKeyITIBJKMLHSCYED-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.72
Rot. Bonds

About 7-amino-1-benzofuran-6-ol

7-amino-1-benzofuran-6-ol (PubChem CID 83914018) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 7-amino-1-benzofuran-6-ol.

Molecular Properties

Compound Name7-amino-1-benzofuran-6-ol
PubChem CID83914018
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name7-amino-1-benzofuran-6-ol
SMILESNc1c(O)ccc2ccoc12
InChIInChI=1S/C8H7NO2/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,10H,9H2
InChIKeyITIBJKMLHSCYED-UHFFFAOYSA-N
XLogP1.72
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-benzofuran-6-ol
CID 83681550
7-amino-1-benzofuran-6-carbaldehyde
CID 82415505
7-(2-hydroxynaphthalen-1-yl)-1-benzofuran-6-ol
CID 163867392
6-fluoro-1-benzofuran-7-ol
CID 164580528
acetaldehyde;1-benzofuran-7-ol
CID 87738813
1-benzofuran-6,7-dithiol
CID 167495645
benzo[g][1]benzofuran-5-amine
CID 141105046
1-benzofuran-7-ol;methylcarbamic acid
CID 70538977
thieno[3,2-b]furan-6-ol
CID 22090606
furo[2,3-e][1,2]benzoxazole
CID 57375713
(6-fluoro-1-benzofuran-7-yl)methanol
CID 117276362
7-bromo-6-fluoro-1-benzofuran
CID 22144929

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-benzofuran-6-ol?
The IUPAC name of 7-amino-1-benzofuran-6-ol (CID 83914018) is 7-amino-1-benzofuran-6-ol.
What is the SMILES notation for 7-amino-1-benzofuran-6-ol?
The canonical SMILES for 7-amino-1-benzofuran-6-ol is Nc1c(O)ccc2ccoc12.
What is the InChIKey of 7-amino-1-benzofuran-6-ol?
The InChIKey is ITIBJKMLHSCYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,10H,9H2.
What are the key properties of 7-amino-1-benzofuran-6-ol?
7-amino-1-benzofuran-6-ol has a molecular weight of 149.15 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-benzofuran-6-ol is sourced from PubChem (CID 83914018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).