4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile

C16H14FNO — CID 103792189

IUPAC4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
SMILESCc1cccc(C)c1COc1ccc(C#N)cc1F
InChIInChI=1S/C16H14FNO/c1-11-4-3-5-12(2)14(11)10-19-16-7-6-13(9-18)8-15(16)17/h3-8H,10H2,1-2H3
InChIKeyMAOYRWZAMGBOOG-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.89
Rot. Bonds3

About 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile

4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile (PubChem CID 103792189) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
PubChem CID103792189
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
SMILESCc1cccc(C)c1COc1ccc(C#N)cc1F
InChIInChI=1S/C16H14FNO/c1-11-4-3-5-12(2)14(11)10-19-16-7-6-13(9-18)8-15(16)17/h3-8H,10H2,1-2H3
InChIKeyMAOYRWZAMGBOOG-UHFFFAOYSA-N
XLogP3.89
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorobenzonitrile
CID 103792121
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
CID 43657436
4-[[3-tert-butyl-5-[(4-cyano-2-fluorophenoxy)methyl]phenyl]methoxy]-3-fluorobenzonitrile
CID 156508177
4-(2-amino-3-methylphenoxy)-3-fluorobenzonitrile
CID 43657243
4-[(4-bromo-2-fluorophenoxy)methyl]-3-fluorobenzonitrile
CID 28880519
4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
CID 107670432
2-[3-[(2,6-dimethylphenyl)methoxy]-4-fluorophenyl]acetonitrile
CID 66874991
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
4-[(2,6-dimethylphenyl)methylamino]-3-fluorobenzonitrile
CID 81333601
3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
CID 103760137
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile (CID 103792189) is 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile is Cc1cccc(C)c1COc1ccc(C#N)cc1F.
What is the InChIKey of 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile?
The InChIKey is MAOYRWZAMGBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11-4-3-5-12(2)14(11)10-19-16-7-6-13(9-18)8-15(16)17/h3-8H,10H2,1-2H3.
What are the key properties of 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile?
4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile has a molecular weight of 255.29 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 103792189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).