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

C20H20FNO4 — CID 44590244

IUPAC6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one
SMILESCNc1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1
InChIInChI=1S/C20H20FNO4/c1-22-15-4-2-14(3-5-15)20-13-18(23)17-12-16(6-7-19(17)26-20)25-11-10-24-9-8-21/h2-7,12-13,22H,8-11H2,1H3
InChIKeyJOLORZBEBQKFGX-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.87
Rot. Bonds8

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

6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one (PubChem CID 44590244) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one.

Molecular Properties

Compound Name6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one
PubChem CID44590244
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one
SMILESCNc1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1
InChIInChI=1S/C20H20FNO4/c1-22-15-4-2-14(3-5-15)20-13-18(23)17-12-16(6-7-19(17)26-20)25-11-10-24-9-8-21/h2-7,12-13,22H,8-11H2,1H3
InChIKeyJOLORZBEBQKFGX-UHFFFAOYSA-N
XLogP3.87
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one?
The IUPAC name of 6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one (CID 44590244) is 6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one.
What is the SMILES notation for 6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one?
The canonical SMILES for 6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one is CNc1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1.
What is the InChIKey of 6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one?
The InChIKey is JOLORZBEBQKFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-22-15-4-2-14(3-5-15)20-13-18(23)17-12-16(6-7-19(17)26-20)25-11-10-24-9-8-21/h2-7,12-13,22H,8-11H2,1H3.
What are the key properties of 6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one?
6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one has a molecular weight of 357.38 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluoroethoxy)ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one is sourced from PubChem (CID 44590244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).