4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile

C16H14FNO2 — CID 106788631

IUPAC4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1cc(COc2cc(C)ccc2F)ccc1C#N
InChIInChI=1S/C16H14FNO2/c1-11-3-6-14(17)16(7-11)20-10-12-4-5-13(9-18)15(8-12)19-2/h3-8H,10H2,1-2H3
InChIKeyJGFZDMGDVXEQBT-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.59
Rot. Bonds4

About 4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile

4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile (PubChem CID 106788631) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile
PubChem CID106788631
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1cc(COc2cc(C)ccc2F)ccc1C#N
InChIInChI=1S/C16H14FNO2/c1-11-3-6-14(17)16(7-11)20-10-12-4-5-13(9-18)15(8-12)19-2/h3-8H,10H2,1-2H3
InChIKeyJGFZDMGDVXEQBT-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

2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103758922
5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758788
2-[(4-cyano-3-methoxyphenyl)methoxy]-6-fluorobenzonitrile
CID 106788587
4-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788655
2-methoxy-4-[(2,4,5-trichlorophenoxy)methyl]benzonitrile
CID 106788537
4-[(2-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788489
4-[(5-bromo-2-methylphenoxy)methyl]-2-methoxybenzonitrile
CID 107283816
5-[(2-amino-4-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107878012
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 106792266
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103912314
4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile
CID 103759966
4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile
CID 106785823

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile (CID 106788631) is 4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile is COc1cc(COc2cc(C)ccc2F)ccc1C#N.
What is the InChIKey of 4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile?
The InChIKey is JGFZDMGDVXEQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-11-3-6-14(17)16(7-11)20-10-12-4-5-13(9-18)15(8-12)19-2/h3-8H,10H2,1-2H3.
What are the key properties of 4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile?
4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile 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-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106788631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).