3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile

C15H12FNO2 — CID 104792137

IUPAC3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1cccc(COc2cccc(C#N)c2)c1F
InChIInChI=1S/C15H12FNO2/c1-18-14-7-3-5-12(15(14)16)10-19-13-6-2-4-11(8-13)9-17/h2-8H,10H2,1H3
InChIKeyPZGSQAATGQAITC-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.28
Rot. Bonds4

About 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile

3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile (PubChem CID 104792137) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
PubChem CID104792137
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1cccc(COc2cccc(C#N)c2)c1F
InChIInChI=1S/C15H12FNO2/c1-18-14-7-3-5-12(15(14)16)10-19-13-6-2-4-11(8-13)9-17/h2-8H,10H2,1H3
InChIKeyPZGSQAATGQAITC-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

4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
1-[[3-(3-chloroprop-1-ynyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104794301
3-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 43231297
3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile
CID 43247211
[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
CID 104792588
2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
CID 107115097
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 104791273
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
3-[(5-acetyl-2-methoxyphenyl)methoxy]benzonitrile
CID 4808187
4-[(3-cyanophenoxy)methyl]-3-methylbenzonitrile
CID 114481500

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile (CID 104792137) is 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile is COc1cccc(COc2cccc(C#N)c2)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile?
The InChIKey is PZGSQAATGQAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-18-14-7-3-5-12(15(14)16)10-19-13-6-2-4-11(8-13)9-17/h2-8H,10H2,1H3.
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile?
3-[(2-fluoro-3-methoxyphenyl)methoxy]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 3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile is sourced from PubChem (CID 104792137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).