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

C22H24FNO5 — CID 44590245

IUPAC6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one
SMILESCNc1ccc(-c2cc(=O)c3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C22H24FNO5/c1-24-17-4-2-16(3-5-17)22-15-20(25)19-14-18(6-7-21(19)29-22)28-13-12-27-11-10-26-9-8-23/h2-7,14-15,24H,8-13H2,1H3
InChIKeyHCQFMSRDUZNKMP-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.88
Rot. Bonds11

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

6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one (PubChem CID 44590245) has the molecular formula C22H24FNO5 and a molecular weight of 401.43 g/mol. Its IUPAC name is 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one.

Molecular Properties

Compound Name6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one
PubChem CID44590245
Molecular FormulaC22H24FNO5
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one
SMILESCNc1ccc(-c2cc(=O)c3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C22H24FNO5/c1-24-17-4-2-16(3-5-17)22-15-20(25)19-14-18(6-7-21(19)29-22)28-13-12-27-11-10-26-9-8-23/h2-7,14-15,24H,8-13H2,1H3
InChIKeyHCQFMSRDUZNKMP-UHFFFAOYSA-N
XLogP3.88
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one?
The IUPAC name of 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one (CID 44590245) is 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one.
What is the SMILES notation for 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one?
The canonical SMILES for 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one is CNc1ccc(-c2cc(=O)c3cc(OCCOCCOCCF)ccc3o2)cc1.
What is the InChIKey of 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one?
The InChIKey is HCQFMSRDUZNKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO5/c1-24-17-4-2-16(3-5-17)22-15-20(25)19-14-18(6-7-21(19)29-22)28-13-12-27-11-10-26-9-8-23/h2-7,14-15,24H,8-13H2,1H3.
What are the key properties of 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one?
6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one has a molecular weight of 401.43 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-[4-(methylamino)phenyl]chromen-4-one is sourced from PubChem (CID 44590245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).