4-amino-2-[hydroxy(iodo)methyl]phenol

C7H8INO2 — CID 70536065

IUPAC4-amino-2-[hydroxy(iodo)methyl]phenol
SMILESNc1ccc(O)c(C(O)I)c1
InChIInChI=1S/C7H8INO2/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3,7,10-11H,9H2
InChIKeyYJGXYHDWMBONHO-UHFFFAOYSA-N
MW265.05 g/mol
LogP1.40
Rot. Bonds1

About 4-amino-2-[hydroxy(iodo)methyl]phenol

4-amino-2-[hydroxy(iodo)methyl]phenol (PubChem CID 70536065) has the molecular formula C7H8INO2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 4-amino-2-[hydroxy(iodo)methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[hydroxy(iodo)methyl]phenol
PubChem CID70536065
Molecular FormulaC7H8INO2
Molecular Weight265.05 g/mol
Exact Mass264.96
IUPAC Name4-amino-2-[hydroxy(iodo)methyl]phenol
SMILESNc1ccc(O)c(C(O)I)c1
InChIInChI=1S/C7H8INO2/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3,7,10-11H,9H2
InChIKeyYJGXYHDWMBONHO-UHFFFAOYSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-2-[hydroxy(iodo)methyl]phenol?
The IUPAC name of 4-amino-2-[hydroxy(iodo)methyl]phenol (CID 70536065) is 4-amino-2-[hydroxy(iodo)methyl]phenol.
What is the SMILES notation for 4-amino-2-[hydroxy(iodo)methyl]phenol?
The canonical SMILES for 4-amino-2-[hydroxy(iodo)methyl]phenol is Nc1ccc(O)c(C(O)I)c1.
What is the InChIKey of 4-amino-2-[hydroxy(iodo)methyl]phenol?
The InChIKey is YJGXYHDWMBONHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3,7,10-11H,9H2.
What are the key properties of 4-amino-2-[hydroxy(iodo)methyl]phenol?
4-amino-2-[hydroxy(iodo)methyl]phenol has a molecular weight of 265.05 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[hydroxy(iodo)methyl]phenol is sourced from PubChem (CID 70536065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).