5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile

C15H12FNO2 — CID 65344295

IUPAC5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(COc2cccc(F)c2)cc1C#N
InChIInChI=1S/C15H12FNO2/c1-18-15-6-5-11(7-12(15)9-17)10-19-14-4-2-3-13(16)8-14/h2-8H,10H2,1H3
InChIKeyGFVOBXYWJYXUFB-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.28
Rot. Bonds4

About 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile

5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile (PubChem CID 65344295) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile
PubChem CID65344295
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(COc2cccc(F)c2)cc1C#N
InChIInChI=1S/C15H12FNO2/c1-18-15-6-5-11(7-12(15)9-17)10-19-14-4-2-3-13(16)8-14/h2-8H,10H2,1H3
InChIKeyGFVOBXYWJYXUFB-UHFFFAOYSA-N
XLogP3.28
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(chloromethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339485
5-[[3-(2-aminoethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339062
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
4-[[3-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788603
5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344467
4-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788655
4-[(2-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788489
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
2-methoxy-5-(phenylmethoxymethyl)benzonitrile
CID 65343797
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
CID 106794520
2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 65341087

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile (CID 65344295) is 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile is COc1ccc(COc2cccc(F)c2)cc1C#N.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile?
The InChIKey is GFVOBXYWJYXUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-18-15-6-5-11(7-12(15)9-17)10-19-14-4-2-3-13(16)8-14/h2-8H,10H2,1H3.
What are the key properties of 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile?
5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile has a molecular weight of 257.26 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65344295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).