2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile

C15H12FNO — CID 2737386

IUPAC2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile
SMILESCc1ccc(COc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H12FNO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(16)13(15)9-17/h2-8H,10H2,1H3
InChIKeyPYDSAKVFHVQAAD-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.58
Rot. Bonds3

About 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile

2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile (PubChem CID 2737386) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile
PubChem CID2737386
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile
SMILESCc1ccc(COc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H12FNO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(16)13(15)9-17/h2-8H,10H2,1H3
InChIKeyPYDSAKVFHVQAAD-UHFFFAOYSA-N
XLogP3.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyloxybenzonitrile
CID 561371
4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CID 104171
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
CID 104172
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-
CID 104291
(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
CID 104292
[1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-
CID 93892
[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
CID 104173
(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-
CID 162465
(2-Methoxybenzylidene)malononitrile
CID 17813
2H-1-Benzopyran-3-carbonitrile
CID 42438
m-Phenoxybenzyl cyanide
CID 40075
Benzonitrile, 4,4'-oxybis-
CID 81004

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile (CID 2737386) is 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile is Cc1ccc(COc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile?
The InChIKey is PYDSAKVFHVQAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(16)13(15)9-17/h2-8H,10H2,1H3.
What are the key properties of 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile?
2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile has a molecular weight of 241.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile is sourced from PubChem (CID 2737386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).