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

C19H18FNO4 — CID 44590957

IUPAC2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1
InChIInChI=1S/C19H18FNO4/c20-7-8-23-9-10-24-15-5-6-18-16(11-15)17(22)12-19(25-18)13-1-3-14(21)4-2-13/h1-6,11-12H,7-10,21H2
InChIKeyBTRCYFHFPKWSQO-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.41
Rot. Bonds7

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

2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one (PubChem CID 44590957) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
PubChem CID44590957
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1
InChIInChI=1S/C19H18FNO4/c20-7-8-23-9-10-24-15-5-6-18-16(11-15)17(22)12-19(25-18)13-1-3-14(21)4-2-13/h1-6,11-12H,7-10,21H2
InChIKeyBTRCYFHFPKWSQO-UHFFFAOYSA-N
XLogP3.41
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
2-(4-Aminophenyl)-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]chromen-4-one
CID 44590243
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one (CID 44590957) is 2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one is Nc1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one?
The InChIKey is BTRCYFHFPKWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c20-7-8-23-9-10-24-15-5-6-18-16(11-15)17(22)12-19(25-18)13-1-3-14(21)4-2-13/h1-6,11-12H,7-10,21H2.
What are the key properties of 2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one?
2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one has a molecular weight of 343.35 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one is sourced from PubChem (CID 44590957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).