2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one

C21H22FNO5 — CID 44590243

IUPAC2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C21H22FNO5/c22-7-8-25-9-10-26-11-12-27-17-5-6-20-18(13-17)19(24)14-21(28-20)15-1-3-16(23)4-2-15/h1-6,13-14H,7-12,23H2
InChIKeyPKVMZHFKPCPALT-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.42
Rot. Bonds10

About 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one

2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one (PubChem CID 44590243) has the molecular formula C21H22FNO5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one
PubChem CID44590243
Molecular FormulaC21H22FNO5
Molecular Weight387.41 g/mol
Exact Mass387.15
IUPAC Name2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C21H22FNO5/c22-7-8-25-9-10-26-11-12-27-17-5-6-20-18(13-17)19(24)14-21(28-20)15-1-3-16(23)4-2-15/h1-6,13-14H,7-12,23H2
InChIKeyPKVMZHFKPCPALT-UHFFFAOYSA-N
XLogP3.42
TPSA83.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4'-Amino-6-hydroxyflavone
CID 125519
(E)-3-(4-aminophenyl)-1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]prop-2-en-1-one
CID 44482042
4'-Aminoflavone
CID 177048
2-(3-((4-nitrobenzyl)oxy)phenyl)-4H-chromen-4-one (3)
CID 118987385
2-[(E)-2-(4-aminophenyl)ethenyl]-6-(125I)iodochromen-4-one
CID 16066780
6-[2-(2-Fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one
CID 44590244
6-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one
CID 44590245
2-(4-Aminophenyl)-6-fluorochromen-4-one
CID 44590246
2-[4-(Dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one
CID 44590880
2-[4-(Dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
CID 44590881
2-[4-(Dimethylamino)phenyl]-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one
CID 44590882
2-(4-Aminophenyl)-6-(2-fluoroethoxy)chromen-4-one
CID 44590883

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one (CID 44590243) is 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one is Nc1ccc(-c2cc(=O)c3cc(OCCOCCOCCF)ccc3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one?
The InChIKey is PKVMZHFKPCPALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO5/c22-7-8-25-9-10-26-11-12-27-17-5-6-20-18(13-17)19(24)14-21(28-20)15-1-3-16(23)4-2-15/h1-6,13-14H,7-12,23H2.
What are the key properties of 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one?
2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one has a molecular weight of 387.41 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one is sourced from PubChem (CID 44590243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).