1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one

C26H20FNO2 — CID 58272944

IUPAC1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccc(Oc2ccnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H20FNO2/c27-22-10-6-19(7-11-22)16-23(29)17-20-8-12-24(13-9-20)30-25-14-15-28-26(18-25)21-4-2-1-3-5-21/h1-15,18H,16-17H2
InChIKeyAQIYFIIPHDBUJB-UHFFFAOYSA-N
MW397.45 g/mol
LogP6.03
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one

1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one (PubChem CID 58272944) has the molecular formula C26H20FNO2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one
PubChem CID58272944
Molecular FormulaC26H20FNO2
Molecular Weight397.45 g/mol
Exact Mass397.15
IUPAC Name1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccc(Oc2ccnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H20FNO2/c27-22-10-6-19(7-11-22)16-23(29)17-20-8-12-24(13-9-20)30-25-14-15-28-26(18-25)21-4-2-1-3-5-21/h1-15,18H,16-17H2
InChIKeyAQIYFIIPHDBUJB-UHFFFAOYSA-N
XLogP6.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]urea;4-[(2-phenyl-4-pyridinyl)oxy]aniline
CID 158881866
1-(4-fluorophenyl)-3-[4-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one
CID 58272324
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one
CID 58272364
[4-[[[2-[4-(4-fluorophenoxy)phenyl]pyridine-4-carbonyl]amino]methyl]phenyl]-trimethylazanium
CID 71566411
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine
CID 174271729
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
4-benzyl-2-(4-fluorophenyl)pyridine
CID 162708320
5-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]pentanoic acid
CID 153170229
N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide
CID 19423455

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one (CID 58272944) is 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one is O=C(Cc1ccc(F)cc1)Cc1ccc(Oc2ccnc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one?
The InChIKey is AQIYFIIPHDBUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO2/c27-22-10-6-19(7-11-22)16-23(29)17-20-8-12-24(13-9-20)30-25-14-15-28-26(18-25)21-4-2-1-3-5-21/h1-15,18H,16-17H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one?
1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one has a molecular weight of 397.45 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one is sourced from PubChem (CID 58272944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).