1-(2-amino-5-iodophenyl)ethenol

C8H8INO — CID 146350054

IUPAC1-(2-amino-5-iodophenyl)ethenol
SMILESC=C(O)c1cc(I)ccc1N
InChIInChI=1S/C8H8INO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4,11H,1,10H2
InChIKeyVLIICNBZNMXLHB-UHFFFAOYSA-N
MW261.06 g/mol
LogP2.40
Rot. Bonds1

About 1-(2-amino-5-iodophenyl)ethenol

1-(2-amino-5-iodophenyl)ethenol (PubChem CID 146350054) has the molecular formula C8H8INO and a molecular weight of 261.06 g/mol. Its IUPAC name is 1-(2-amino-5-iodophenyl)ethenol.

Molecular Properties

Compound Name1-(2-amino-5-iodophenyl)ethenol
PubChem CID146350054
Molecular FormulaC8H8INO
Molecular Weight261.06 g/mol
Exact Mass260.97
IUPAC Name1-(2-amino-5-iodophenyl)ethenol
SMILESC=C(O)c1cc(I)ccc1N
InChIInChI=1S/C8H8INO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4,11H,1,10H2
InChIKeyVLIICNBZNMXLHB-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-5-iodophenyl)ethenol?
The IUPAC name of 1-(2-amino-5-iodophenyl)ethenol (CID 146350054) is 1-(2-amino-5-iodophenyl)ethenol.
What is the SMILES notation for 1-(2-amino-5-iodophenyl)ethenol?
The canonical SMILES for 1-(2-amino-5-iodophenyl)ethenol is C=C(O)c1cc(I)ccc1N.
What is the InChIKey of 1-(2-amino-5-iodophenyl)ethenol?
The InChIKey is VLIICNBZNMXLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4,11H,1,10H2.
What are the key properties of 1-(2-amino-5-iodophenyl)ethenol?
1-(2-amino-5-iodophenyl)ethenol has a molecular weight of 261.06 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-iodophenyl)ethenol is sourced from PubChem (CID 146350054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).