3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile

C15H12FNO — CID 102817820

IUPAC3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile
SMILESCc1cc(C)cc(Oc2cc(F)cc(C#N)c2)c1
InChIInChI=1S/C15H12FNO/c1-10-3-11(2)5-14(4-10)18-15-7-12(9-17)6-13(16)8-15/h3-8H,1-2H3
InChIKeyNJTYWMIJYZKPFL-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.11
Rot. Bonds2

About 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile

3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile (PubChem CID 102817820) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile
PubChem CID102817820
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile
SMILESCc1cc(C)cc(Oc2cc(F)cc(C#N)c2)c1
InChIInChI=1S/C15H12FNO/c1-10-3-11(2)5-14(4-10)18-15-7-12(9-17)6-13(16)8-15/h3-8H,1-2H3
InChIKeyNJTYWMIJYZKPFL-UHFFFAOYSA-N
XLogP4.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile 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

3-(4-chloro-3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817962
3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
CID 102818151
ethane;3-methyl-5-phenoxybenzonitrile
CID 145044445
3-[3-(dimethylamino)phenoxy]-5-fluorobenzonitrile
CID 102818047
3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102818128
3-(3,5-difluorophenoxy)-5-methylaniline
CID 112648476
3-fluoro-5-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 102818187
4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283851
3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile
CID 102818056
3-(1-cyanoethoxy)-5-fluorobenzonitrile
CID 130568484
3-(2-tert-butylphenoxy)-5-fluorobenzonitrile
CID 102817773
(3-cyano-5-fluorophenoxy)boronic acid
CID 142793268

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile?
The IUPAC name of 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile (CID 102817820) is 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile is Cc1cc(C)cc(Oc2cc(F)cc(C#N)c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile?
The InChIKey is NJTYWMIJYZKPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-10-3-11(2)5-14(4-10)18-15-7-12(9-17)6-13(16)8-15/h3-8H,1-2H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile?
3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile has a molecular weight of 241.26 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 102817820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).