7-(2,5-diaminophenoxy)-2-phenylchromen-4-one

C21H16N2O3 — CID 139992602

IUPAC7-(2,5-diaminophenoxy)-2-phenylchromen-4-one
SMILESNc1ccc(N)c(Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1
InChIInChI=1S/C21H16N2O3/c22-14-6-9-17(23)21(10-14)25-15-7-8-16-18(24)12-19(26-20(16)11-15)13-4-2-1-3-5-13/h1-12H,22-23H2
InChIKeyFHRVKGTZOAVZQZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.42
Rot. Bonds3

About 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one

7-(2,5-diaminophenoxy)-2-phenylchromen-4-one (PubChem CID 139992602) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-(2,5-diaminophenoxy)-2-phenylchromen-4-one
PubChem CID139992602
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name7-(2,5-diaminophenoxy)-2-phenylchromen-4-one
SMILESNc1ccc(N)c(Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1
InChIInChI=1S/C21H16N2O3/c22-14-6-9-17(23)21(10-14)25-15-7-8-16-18(24)12-19(26-20(16)11-15)13-4-2-1-3-5-13/h1-12H,22-23H2
InChIKeyFHRVKGTZOAVZQZ-UHFFFAOYSA-N
XLogP4.42
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-diaminophenoxy)-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 139992880
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
7-hydroxy-2-phenylchromen-4-one
CID 5281894
[3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate
CID 23553032
2-phenylchromen-4-one
CID 90124083
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
copper;2-phenylchromen-4-one
CID 175169427
ethyl (2R)-2-(4-oxo-2-phenylchromen-7-yl)oxybutanoate
CID 102074481
CID 159796273
CID 159796273
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one?
The IUPAC name of 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one (CID 139992602) is 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one?
The canonical SMILES for 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one is Nc1ccc(N)c(Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1.
What is the InChIKey of 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one?
The InChIKey is FHRVKGTZOAVZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c22-14-6-9-17(23)21(10-14)25-15-7-8-16-18(24)12-19(26-20(16)11-15)13-4-2-1-3-5-13/h1-12H,22-23H2.
What are the key properties of 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one?
7-(2,5-diaminophenoxy)-2-phenylchromen-4-one has a molecular weight of 344.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-diaminophenoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 139992602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).