7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one

C20H15N3O5 — CID 45480012

IUPAC7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one
SMILESO=C(Cn1cc(COc2ccc3ccc(=O)oc3c2)nn1)c1ccc(O)cc1
InChIInChI=1S/C20H15N3O5/c24-16-5-1-13(2-6-16)18(25)11-23-10-15(21-22-23)12-27-17-7-3-14-4-8-20(26)28-19(14)9-17/h1-10,24H,11-12H2
InChIKeyTZOCOGNQACZASY-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.55
Rot. Bonds6

About 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one

7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one (PubChem CID 45480012) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one
PubChem CID45480012
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one
SMILESO=C(Cn1cc(COc2ccc3ccc(=O)oc3c2)nn1)c1ccc(O)cc1
InChIInChI=1S/C20H15N3O5/c24-16-5-1-13(2-6-16)18(25)11-23-10-15(21-22-23)12-27-17-7-3-14-4-8-20(26)28-19(14)9-17/h1-10,24H,11-12H2
InChIKeyTZOCOGNQACZASY-UHFFFAOYSA-N
XLogP2.55
TPSA107.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one?
The IUPAC name of 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one (CID 45480012) is 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one.
What is the SMILES notation for 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one?
The canonical SMILES for 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one is O=C(Cn1cc(COc2ccc3ccc(=O)oc3c2)nn1)c1ccc(O)cc1.
What is the InChIKey of 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one?
The InChIKey is TZOCOGNQACZASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c24-16-5-1-13(2-6-16)18(25)11-23-10-15(21-22-23)12-27-17-7-3-14-4-8-20(26)28-19(14)9-17/h1-10,24H,11-12H2.
What are the key properties of 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one?
7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one has a molecular weight of 377.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]chromen-2-one is sourced from PubChem (CID 45480012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).