3-[azido(phenyl)methyl]chromen-4-one

C16H11N3O2 — CID 11380383

IUPAC3-[azido(phenyl)methyl]chromen-4-one
SMILES[N-]=[N+]=NC(c1ccccc1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11N3O2/c17-19-18-15(11-6-2-1-3-7-11)13-10-21-14-9-5-4-8-12(14)16(13)20/h1-10,15H
InChIKeyZRHQSPOVGMEUAX-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.19
Rot. Bonds3

About 3-[azido(phenyl)methyl]chromen-4-one

3-[azido(phenyl)methyl]chromen-4-one (PubChem CID 11380383) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-[azido(phenyl)methyl]chromen-4-one.

Molecular Properties

Compound Name3-[azido(phenyl)methyl]chromen-4-one
PubChem CID11380383
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-[azido(phenyl)methyl]chromen-4-one
SMILES[N-]=[N+]=NC(c1ccccc1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11N3O2/c17-19-18-15(11-6-2-1-3-7-11)13-10-21-14-9-5-4-8-12(14)16(13)20/h1-10,15H
InChIKeyZRHQSPOVGMEUAX-UHFFFAOYSA-N
XLogP4.19
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-benzhydryl-1-benzofuran
CID 53493031
3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one
CID 102296183
3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one
CID 101244744
tert-butyl [(4-oxochromen-3-yl)-phenylmethyl] carbonate
CID 102204800
3-phenylchromen-4-one;phosphane
CID 174413449
benzene;3-hydroxychromen-4-one
CID 175480795
ethane;3-phenylchromen-4-one
CID 90946880
methyl 2-(4-fluorophenyl)-2-(4-oxochromen-3-yl)acetate
CID 154714068
CID 143974471
CID 143974471
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
4-hydroxy-3-[(3-methylphenyl)-(4-oxochromen-3-yl)methyl]chromen-2-one
CID 132918136
[(R)-1-benzofuran-3-yl(phenyl)methyl]urea
CID 871475

Frequently Asked Questions

What is the IUPAC name of 3-[azido(phenyl)methyl]chromen-4-one?
The IUPAC name of 3-[azido(phenyl)methyl]chromen-4-one (CID 11380383) is 3-[azido(phenyl)methyl]chromen-4-one.
What is the SMILES notation for 3-[azido(phenyl)methyl]chromen-4-one?
The canonical SMILES for 3-[azido(phenyl)methyl]chromen-4-one is [N-]=[N+]=NC(c1ccccc1)c1coc2ccccc2c1=O.
What is the InChIKey of 3-[azido(phenyl)methyl]chromen-4-one?
The InChIKey is ZRHQSPOVGMEUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-19-18-15(11-6-2-1-3-7-11)13-10-21-14-9-5-4-8-12(14)16(13)20/h1-10,15H.
What are the key properties of 3-[azido(phenyl)methyl]chromen-4-one?
3-[azido(phenyl)methyl]chromen-4-one has a molecular weight of 277.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azido(phenyl)methyl]chromen-4-one is sourced from PubChem (CID 11380383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).