2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one

C18H15N3O4 — CID 126484713

IUPAC2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one
SMILESCOc1cc2c(=O)cc(CN=[N+]=[N-])oc2cc1OCc1ccccc1
InChIInChI=1S/C18H15N3O4/c1-23-17-8-14-15(22)7-13(10-20-21-19)25-16(14)9-18(17)24-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyGLSHYYFLUBHBJF-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.19
Rot. Bonds6

About 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one

2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one (PubChem CID 126484713) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one
PubChem CID126484713
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one
SMILESCOc1cc2c(=O)cc(CN=[N+]=[N-])oc2cc1OCc1ccccc1
InChIInChI=1S/C18H15N3O4/c1-23-17-8-14-15(22)7-13(10-20-21-19)25-16(14)9-18(17)24-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyGLSHYYFLUBHBJF-UHFFFAOYSA-N
XLogP4.19
TPSA97.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484702
5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
CID 102527760
3,4-dimethyl-6,7-bis(phenylmethoxy)chromen-2-one
CID 10810185
5-(azidomethyl)-6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxole
CID 11058208
6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
CID 11185633
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
CID 142720681
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3-[2-(azidomethyl)-4-methoxyphenyl]-4-hydroxy-6,7-dimethoxychromen-2-one
CID 102508763
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
6-[5-(2-carboxy-7-methoxy-4-oxochromen-6-yl)oxypentoxy]-7-methoxy-4-oxochromene-2-carboxylic acid;dihydrate
CID 162076877
4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene
CID 42625428

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one (CID 126484713) is 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one is COc1cc2c(=O)cc(CN=[N+]=[N-])oc2cc1OCc1ccccc1.
What is the InChIKey of 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one?
The InChIKey is GLSHYYFLUBHBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-23-17-8-14-15(22)7-13(10-20-21-19)25-16(14)9-18(17)24-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3.
What are the key properties of 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one?
2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one has a molecular weight of 337.34 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 126484713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).