4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C22H13FN2O2 — CID 22586552

IUPAC4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1ccc(Oc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C22H13FN2O2/c23-15-10-12-16(13-11-15)26-22-20-19(17-8-4-5-9-18(17)27-20)24-21(25-22)14-6-2-1-3-7-14/h1-13H
InChIKeyXHFQIRQNEOZGLZ-UHFFFAOYSA-N
MW356.36 g/mol
LogP5.97
Rot. Bonds3

About 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 22586552) has the molecular formula C22H13FN2O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID22586552
Molecular FormulaC22H13FN2O2
Molecular Weight356.36 g/mol
Exact Mass356.10
IUPAC Name4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1ccc(Oc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C22H13FN2O2/c23-15-10-12-16(13-11-15)26-22-20-19(17-8-4-5-9-18(17)27-20)24-21(25-22)14-6-2-1-3-7-14/h1-13H
InChIKeyXHFQIRQNEOZGLZ-UHFFFAOYSA-N
XLogP5.97
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.36
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium
CID 7112001
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 162719928
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 2024503
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 22586552) is 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is Fc1ccc(Oc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is XHFQIRQNEOZGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN2O2/c23-15-10-12-16(13-11-15)26-22-20-19(17-8-4-5-9-18(17)27-20)24-21(25-22)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 356.36 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 22586552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).