2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one

C21H19N3O4 — CID 141373323

IUPAC2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCOCCn3ccnn3)ccc12
InChIInChI=1S/C21H19N3O4/c25-19-15-20(16-4-2-1-3-5-16)28-21-14-17(6-7-18(19)21)27-13-12-26-11-10-24-9-8-22-23-24/h1-9,14-15H,10-13H2
InChIKeyJYKGOMKTQHAVLB-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.15
Rot. Bonds8

About 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one

2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one (PubChem CID 141373323) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one.

Molecular Properties

Compound Name2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one
PubChem CID141373323
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCOCCn3ccnn3)ccc12
InChIInChI=1S/C21H19N3O4/c25-19-15-20(16-4-2-1-3-5-16)28-21-14-17(6-7-18(19)21)27-13-12-26-11-10-24-9-8-22-23-24/h1-9,14-15H,10-13H2
InChIKeyJYKGOMKTQHAVLB-UHFFFAOYSA-N
XLogP3.15
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
CID 141482087
7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one
CID 138981317
3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one
CID 59527462
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
7-[4-[benzyl(methyl)amino]butoxy]-2-[4-(dimethylamino)phenyl]chromen-4-one
CID 72697193
N,N-bis[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]methanesulfonamide
CID 54578900

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one?
The IUPAC name of 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one (CID 141373323) is 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one.
What is the SMILES notation for 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one?
The canonical SMILES for 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCCOCCn3ccnn3)ccc12.
What is the InChIKey of 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one?
The InChIKey is JYKGOMKTQHAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-19-15-20(16-4-2-1-3-5-16)28-21-14-17(6-7-18(19)21)27-13-12-26-11-10-24-9-8-22-23-24/h1-9,14-15H,10-13H2.
What are the key properties of 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one?
2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one has a molecular weight of 377.40 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one is sourced from PubChem (CID 141373323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).