4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one

C15H9IN2O3 — CID 156613216

IUPAC4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/N=N/c1ccc(I)cc1
InChIInChI=1S/C15H9IN2O3/c16-9-5-7-10(8-6-9)17-18-13-14(19)11-3-1-2-4-12(11)21-15(13)20/h1-8,19H/b18-17+
InChIKeyHSONLZNOYNLCEP-ISLYRVAYSA-N
MW392.15 g/mol
LogP4.52
Rot. Bonds2

About 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one

4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one (PubChem CID 156613216) has the molecular formula C15H9IN2O3 and a molecular weight of 392.15 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one
PubChem CID156613216
Molecular FormulaC15H9IN2O3
Molecular Weight392.15 g/mol
Exact Mass391.97
IUPAC Name4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/N=N/c1ccc(I)cc1
InChIInChI=1S/C15H9IN2O3/c16-9-5-7-10(8-6-9)17-18-13-14(19)11-3-1-2-4-12(11)21-15(13)20/h1-8,19H/b18-17+
InChIKeyHSONLZNOYNLCEP-ISLYRVAYSA-N
XLogP4.52
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.15
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Anilinomethylene)-2,4-chromanedione
CID 135405750
6-azido-3-(6-azido-4-hydroxy-2-oxo-2H-3-chromenylmethyl)-4-hydroxy-2H-2-chromenone
CID 54710283
6-amino-4-hydroxy-2H-chromen-2-one
CID 54690216
(3Z)-3-(m-tolylhydrazono)-6-phenyl-chromane-2,4-dione
CID 136026145
(2E)-2-(phenylhydrazono)benzo[f]chromene-1,3-dione
CID 136068694
(3Z)-3-[(4-fluorophenyl)hydrazono]-6-phenyl-chromane-2,4-dione
CID 136099275
(3Z)-3-(o-tolylhydrazono)-6-phenyl-chromane-2,4-dione
CID 136099276
3-(4-Azidobenzyl)-4-hydroxycoumarin
CID 54697847
4-Hydroxy-8-methyl-3-phenyldiazenylchromen-2-one
CID 135448454
(3E)-3-((4-Chlorophenyl)hydrazinylidene)chroman-2,4-dione
CID 135666647
4-Hydroxy-3-(2-(4-methoxyphenyl)diazenyl)-2H-1-benzopyran-2-one
CID 135666650
3-(4'-Fluorophenylhydrazono)-2,4-chromandione
CID 156613214

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one (CID 156613216) is 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one is O=c1oc2ccccc2c(O)c1/N=N/c1ccc(I)cc1.
What is the InChIKey of 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one?
The InChIKey is HSONLZNOYNLCEP-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H9IN2O3/c16-9-5-7-10(8-6-9)17-18-13-14(19)11-3-1-2-4-12(11)21-15(13)20/h1-8,19H/b18-17+.
What are the key properties of 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one?
4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one has a molecular weight of 392.15 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-iodophenyl)diazenyl]chromen-2-one is sourced from PubChem (CID 156613216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).