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

C26H19FN2O4 — CID 980571

IUPAC3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one
SMILESCc1oc2cc(OCc3cnn(-c4ccccc4)c3)ccc2c(=O)c1Oc1ccccc1F
InChIInChI=1S/C26H19FN2O4/c1-17-26(33-23-10-6-5-9-22(23)27)25(30)21-12-11-20(13-24(21)32-17)31-16-18-14-28-29(15-18)19-7-3-2-4-8-19/h2-15H,16H2,1H3
InChIKeyYWBWEUUNWNLWFV-UHFFFAOYSA-N
MW442.45 g/mol
LogP5.80
Rot. Bonds6

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

3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one (PubChem CID 980571) has the molecular formula C26H19FN2O4 and a molecular weight of 442.45 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one
PubChem CID980571
Molecular FormulaC26H19FN2O4
Molecular Weight442.45 g/mol
Exact Mass442.13
IUPAC Name3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one
SMILESCc1oc2cc(OCc3cnn(-c4ccccc4)c3)ccc2c(=O)c1Oc1ccccc1F
InChIInChI=1S/C26H19FN2O4/c1-17-26(33-23-10-6-5-9-22(23)27)25(30)21-12-11-20(13-24(21)32-17)31-16-18-14-28-29(15-18)19-7-3-2-4-8-19/h2-15H,16H2,1H3
InChIKeyYWBWEUUNWNLWFV-UHFFFAOYSA-N
XLogP5.80
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one?
The IUPAC name of 3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one (CID 980571) is 3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one.
What is the SMILES notation for 3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one?
The canonical SMILES for 3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one is Cc1oc2cc(OCc3cnn(-c4ccccc4)c3)ccc2c(=O)c1Oc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one?
The InChIKey is YWBWEUUNWNLWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O4/c1-17-26(33-23-10-6-5-9-22(23)27)25(30)21-12-11-20(13-24(21)32-17)31-16-18-14-28-29(15-18)19-7-3-2-4-8-19/h2-15H,16H2,1H3.
What are the key properties of 3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one?
3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one has a molecular weight of 442.45 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-2-methyl-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one is sourced from PubChem (CID 980571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).