3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile

C20H14FNO — CID 169493439

IUPAC3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile
SMILESN#Cc1cccc(F)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H14FNO/c21-18-11-6-9-16(13-22)20(18)17-10-4-5-12-19(17)23-14-15-7-2-1-3-8-15/h1-12H,14H2
InChIKeyJXRCUHUHDRPJKE-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.94
Rot. Bonds4

About 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile

3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile (PubChem CID 169493439) has the molecular formula C20H14FNO and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile
PubChem CID169493439
Molecular FormulaC20H14FNO
Molecular Weight303.34 g/mol
Exact Mass303.11
IUPAC Name3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile
SMILESN#Cc1cccc(F)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H14FNO/c21-18-11-6-9-16(13-22)20(18)17-10-4-5-12-19(17)23-14-15-7-2-1-3-8-15/h1-12H,14H2
InChIKeyJXRCUHUHDRPJKE-UHFFFAOYSA-N
XLogP4.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 39826155
2-phenylmethoxybenzonitrile;propane
CID 142369146
4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile
CID 175686453
3-fluoro-2-phenylbenzonitrile
CID 46314737
3-[(2-cyanophenoxy)methyl]benzoic acid
CID 24708246
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
4-methyl-3-(2-phenylmethoxyphenyl)benzonitrile
CID 172914857
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 63036941
4-phenylmethoxynaphthalene-1-carbonitrile
CID 23318695
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile
CID 175686449

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile?
The IUPAC name of 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile (CID 169493439) is 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile.
What is the SMILES notation for 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile?
The canonical SMILES for 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile is N#Cc1cccc(F)c1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile?
The InChIKey is JXRCUHUHDRPJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO/c21-18-11-6-9-16(13-22)20(18)17-10-4-5-12-19(17)23-14-15-7-2-1-3-8-15/h1-12H,14H2.
What are the key properties of 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile?
3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile has a molecular weight of 303.34 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile is sourced from PubChem (CID 169493439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).