2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile

C15H12FNO2 — CID 107115097

IUPAC2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
SMILESCOc1cccc(OCc2cccc(C#N)c2F)c1
InChIInChI=1S/C15H12FNO2/c1-18-13-6-3-7-14(8-13)19-10-12-5-2-4-11(9-17)15(12)16/h2-8H,10H2,1H3
InChIKeyJYOCIEHXCTWILJ-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.28
Rot. Bonds4

About 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile

2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile (PubChem CID 107115097) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
PubChem CID107115097
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
SMILESCOc1cccc(OCc2cccc(C#N)c2F)c1
InChIInChI=1S/C15H12FNO2/c1-18-13-6-3-7-14(8-13)19-10-12-5-2-4-11(9-17)15(12)16/h2-8H,10H2,1H3
InChIKeyJYOCIEHXCTWILJ-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

Analyze 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile
CID 107118700
3-[(3-bromophenoxy)methyl]-2-fluorobenzonitrile
CID 107115105
3-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 107115102
2-fluoro-3-[[2-(hydroxymethyl)-5-methoxyphenoxy]methyl]benzonitrile
CID 107118572
2-[3-[(3-cyano-2-fluorophenyl)methoxy]phenyl]acetic acid
CID 107113957
3-(1,3-benzodioxol-5-yloxymethyl)-2-fluorobenzonitrile
CID 107115140
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 103912173
2-fluoro-3-[(4-methylsulfonylphenoxy)methyl]benzonitrile
CID 103886683
3-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107114258
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
CID 78952689
3-(ethoxymethyl)-2-fluorobenzonitrile
CID 107115085

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile (CID 107115097) is 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile is COc1cccc(OCc2cccc(C#N)c2F)c1.
What is the InChIKey of 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile?
The InChIKey is JYOCIEHXCTWILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-18-13-6-3-7-14(8-13)19-10-12-5-2-4-11(9-17)15(12)16/h2-8H,10H2,1H3.
What are the key properties of 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile?
2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile 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 2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile is sourced from PubChem (CID 107115097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).