3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one

C25H17FN2O4 — CID 980567

IUPAC3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one
SMILESO=c1c(Oc2ccccc2F)coc2cc(OCc3cnn(-c4ccccc4)c3)ccc12
InChIInChI=1S/C25H17FN2O4/c26-21-8-4-5-9-22(21)32-24-16-31-23-12-19(10-11-20(23)25(24)29)30-15-17-13-27-28(14-17)18-6-2-1-3-7-18/h1-14,16H,15H2
InChIKeyRADNKLBVSKQCFE-UHFFFAOYSA-N
MW428.42 g/mol
LogP5.49
Rot. Bonds6

About 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one

3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one (PubChem CID 980567) has the molecular formula C25H17FN2O4 and a molecular weight of 428.42 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one
PubChem CID980567
Molecular FormulaC25H17FN2O4
Molecular Weight428.42 g/mol
Exact Mass428.12
IUPAC Name3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one
SMILESO=c1c(Oc2ccccc2F)coc2cc(OCc3cnn(-c4ccccc4)c3)ccc12
InChIInChI=1S/C25H17FN2O4/c26-21-8-4-5-9-22(21)32-24-16-31-23-12-19(10-11-20(23)25(24)29)30-15-17-13-27-28(14-17)18-6-2-1-3-7-18/h1-14,16H,15H2
InChIKeyRADNKLBVSKQCFE-UHFFFAOYSA-N
XLogP5.49
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one?
The IUPAC name of 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one (CID 980567) is 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one.
What is the SMILES notation for 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one?
The canonical SMILES for 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one is O=c1c(Oc2ccccc2F)coc2cc(OCc3cnn(-c4ccccc4)c3)ccc12.
What is the InChIKey of 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one?
The InChIKey is RADNKLBVSKQCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O4/c26-21-8-4-5-9-22(21)32-24-16-31-23-12-19(10-11-20(23)25(24)29)30-15-17-13-27-28(14-17)18-6-2-1-3-7-18/h1-14,16H,15H2.
What are the key properties of 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one?
3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one has a molecular weight of 428.42 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one is sourced from PubChem (CID 980567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).