3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol

C8H8INO2 — CID 130053922

IUPAC3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol
SMILESNC1COc2c(O)cc(I)cc21
InChIInChI=1S/C8H8INO2/c9-4-1-5-6(10)3-12-8(5)7(11)2-4/h1-2,6,11H,3,10H2
InChIKeyKBJFCOVGMBXBET-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.39
Rot. Bonds

About 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol

3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol (PubChem CID 130053922) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol.

Molecular Properties

Compound Name3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol
PubChem CID130053922
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol
SMILESNC1COc2c(O)cc(I)cc21
InChIInChI=1S/C8H8INO2/c9-4-1-5-6(10)3-12-8(5)7(11)2-4/h1-2,6,11H,3,10H2
InChIKeyKBJFCOVGMBXBET-UHFFFAOYSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol?
The IUPAC name of 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol (CID 130053922) is 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol.
What is the SMILES notation for 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol?
The canonical SMILES for 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol is NC1COc2c(O)cc(I)cc21.
What is the InChIKey of 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol?
The InChIKey is KBJFCOVGMBXBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c9-4-1-5-6(10)3-12-8(5)7(11)2-4/h1-2,6,11H,3,10H2.
What are the key properties of 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol?
3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol has a molecular weight of 277.06 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodo-2,3-dihydro-1-benzofuran-7-ol is sourced from PubChem (CID 130053922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).