4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile

C20H14FNO — CID 7670853

IUPAC4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H14FNO/c21-19-9-3-16(4-10-19)14-23-20-11-7-18(8-12-20)17-5-1-15(13-22)2-6-17/h1-12H,14H2
InChIKeySFFZQPAXCYZBMV-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.94
Rot. Bonds4

About 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile

4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile (PubChem CID 7670853) has the molecular formula C20H14FNO and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
PubChem CID7670853
Molecular FormulaC20H14FNO
Molecular Weight303.34 g/mol
Exact Mass303.11
IUPAC Name4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H14FNO/c21-19-9-3-16(4-10-19)14-23-20-11-7-18(8-12-20)17-5-1-15(13-22)2-6-17/h1-12H,14H2
InChIKeySFFZQPAXCYZBMV-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

4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
[4-(4-cyanophenyl)phenyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 4012182
4-[(4-iodophenoxy)methyl]benzonitrile
CID 7694615
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
4-[[2-fluoro-4-[9-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]nonyl]phenoxy]methyl]benzonitrile
CID 90051551
2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid
CID 107014369
4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 63036941

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile?
The IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile (CID 7670853) is 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile?
The InChIKey is SFFZQPAXCYZBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO/c21-19-9-3-16(4-10-19)14-23-20-11-7-18(8-12-20)17-5-1-15(13-22)2-6-17/h1-12H,14H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile?
4-[4-[(4-fluorophenyl)methoxy]phenyl]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 4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile is sourced from PubChem (CID 7670853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).