4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile

C16H14FNO2 — CID 103759966

IUPAC4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile
SMILESCOc1cc(C)ccc1OCc1cc(F)ccc1C#N
InChIInChI=1S/C16H14FNO2/c1-11-3-6-15(16(7-11)19-2)20-10-13-8-14(17)5-4-12(13)9-18/h3-8H,10H2,1-2H3
InChIKeyBKCOYXZTVFOQQC-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.59
Rot. Bonds4

About 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile

4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile (PubChem CID 103759966) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile
PubChem CID103759966
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile
SMILESCOc1cc(C)ccc1OCc1cc(F)ccc1C#N
InChIInChI=1S/C16H14FNO2/c1-11-3-6-15(16(7-11)19-2)20-10-13-8-14(17)5-4-12(13)9-18/h3-8H,10H2,1-2H3
InChIKeyBKCOYXZTVFOQQC-UHFFFAOYSA-N
XLogP3.59
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107902701
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
CID 103760279
2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 104704645
2-[(5-amino-2-methylphenoxy)methyl]-4-fluorobenzonitrile
CID 107902628
3-[(2-cyano-5-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760048
2-[(3-cyano-5-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 103577959
2-[(2,6-dimethylphenoxy)methyl]-4-fluorobenzonitrile
CID 107903218
2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906244
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902675
2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906213
4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile
CID 106788631
5-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
CID 114345639

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile (CID 103759966) is 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile is COc1cc(C)ccc1OCc1cc(F)ccc1C#N.
What is the InChIKey of 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile?
The InChIKey is BKCOYXZTVFOQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-11-3-6-15(16(7-11)19-2)20-10-13-8-14(17)5-4-12(13)9-18/h3-8H,10H2,1-2H3.
What are the key properties of 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile?
4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 103759966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).