4-amino-3-iodophenol

C6H6INO — CID 11160672

IUPAC4-amino-3-iodophenol
SMILESNc1ccc(O)cc1I
InChIInChI=1S/C6H6INO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKeyLVXHSULEIVXXMO-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.58
Rot. Bonds

About 4-amino-3-iodophenol

4-amino-3-iodophenol (PubChem CID 11160672) has the molecular formula C6H6INO and a molecular weight of 235.02 g/mol. Its IUPAC name is 4-amino-3-iodophenol.

Molecular Properties

Compound Name4-amino-3-iodophenol
PubChem CID11160672
Molecular FormulaC6H6INO
Molecular Weight235.02 g/mol
Exact Mass234.95
IUPAC Name4-amino-3-iodophenol
SMILESNc1ccc(O)cc1I
InChIInChI=1S/C6H6INO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKeyLVXHSULEIVXXMO-UHFFFAOYSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-iodophenol?
The IUPAC name of 4-amino-3-iodophenol (CID 11160672) is 4-amino-3-iodophenol.
What is the SMILES notation for 4-amino-3-iodophenol?
The canonical SMILES for 4-amino-3-iodophenol is Nc1ccc(O)cc1I.
What is the InChIKey of 4-amino-3-iodophenol?
The InChIKey is LVXHSULEIVXXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2.
What are the key properties of 4-amino-3-iodophenol?
4-amino-3-iodophenol has a molecular weight of 235.02 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-iodophenol is sourced from PubChem (CID 11160672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).