4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol

C13H10FIN2O2 — CID 136845624

IUPAC4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol
SMILESOCc1cc(/N=N/c2ccc(I)cc2F)ccc1O
InChIInChI=1S/C13H10FIN2O2/c14-11-6-9(15)1-3-12(11)17-16-10-2-4-13(19)8(5-10)7-18/h1-6,18-19H,7H2/b17-16+
InChIKeyGFRYMQVBCQHELD-WUKNDPDISA-N
MW372.14 g/mol
LogP4.04
Rot. Bonds3

About 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol

4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol (PubChem CID 136845624) has the molecular formula C13H10FIN2O2 and a molecular weight of 372.14 g/mol. Its IUPAC name is 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol
PubChem CID136845624
Molecular FormulaC13H10FIN2O2
Molecular Weight372.14 g/mol
Exact Mass371.98
IUPAC Name4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol
SMILESOCc1cc(/N=N/c2ccc(I)cc2F)ccc1O
InChIInChI=1S/C13H10FIN2O2/c14-11-6-9(15)1-3-12(11)17-16-10-2-4-13(19)8(5-10)7-18/h1-6,18-19H,7H2/b17-16+
InChIKeyGFRYMQVBCQHELD-WUKNDPDISA-N
XLogP4.04
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.14
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol (CID 136845624) is 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol is OCc1cc(/N=N/c2ccc(I)cc2F)ccc1O.
What is the InChIKey of 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol?
The InChIKey is GFRYMQVBCQHELD-WUKNDPDISA-N. The full InChI is InChI=1S/C13H10FIN2O2/c14-11-6-9(15)1-3-12(11)17-16-10-2-4-13(19)8(5-10)7-18/h1-6,18-19H,7H2/b17-16+.
What are the key properties of 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol?
4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol has a molecular weight of 372.14 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 136845624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).