1-(2-amino-6-hydroxy-4-iodophenyl)ethanone

C8H8INO2 — CID 131334776

IUPAC1-(2-amino-6-hydroxy-4-iodophenyl)ethanone
SMILESCC(=O)c1c(N)cc(I)cc1O
InChIInChI=1S/C8H8INO2/c1-4(11)8-6(10)2-5(9)3-7(8)12/h2-3,12H,10H2,1H3
InChIKeyAQBAHHHDEMKSSX-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.78
Rot. Bonds1

About 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone

1-(2-amino-6-hydroxy-4-iodophenyl)ethanone (PubChem CID 131334776) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-6-hydroxy-4-iodophenyl)ethanone
PubChem CID131334776
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name1-(2-amino-6-hydroxy-4-iodophenyl)ethanone
SMILESCC(=O)c1c(N)cc(I)cc1O
InChIInChI=1S/C8H8INO2/c1-4(11)8-6(10)2-5(9)3-7(8)12/h2-3,12H,10H2,1H3
InChIKeyAQBAHHHDEMKSSX-UHFFFAOYSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone?
The IUPAC name of 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone (CID 131334776) is 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone?
The canonical SMILES for 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone is CC(=O)c1c(N)cc(I)cc1O.
What is the InChIKey of 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone?
The InChIKey is AQBAHHHDEMKSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c1-4(11)8-6(10)2-5(9)3-7(8)12/h2-3,12H,10H2,1H3.
What are the key properties of 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone?
1-(2-amino-6-hydroxy-4-iodophenyl)ethanone has a molecular weight of 277.06 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-hydroxy-4-iodophenyl)ethanone is sourced from PubChem (CID 131334776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).