3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile

C17H15F2NO3 — CID 59263319

IUPAC3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile
SMILESCOCC(C)Oc1cc(C#N)cc(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H15F2NO3/c1-11(10-21-2)22-15-3-12(9-20)4-16(8-15)23-17-6-13(18)5-14(19)7-17/h3-8,11H,10H2,1-2H3
InChIKeyMWMBTAABEORACF-UHFFFAOYSA-N
MW319.31 g/mol
LogP4.04
Rot. Bonds6

About 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile

3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile (PubChem CID 59263319) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile
PubChem CID59263319
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile
SMILESCOCC(C)Oc1cc(C#N)cc(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H15F2NO3/c1-11(10-21-2)22-15-3-12(9-20)4-16(8-15)23-17-6-13(18)5-14(19)7-17/h3-8,11H,10H2,1-2H3
InChIKeyMWMBTAABEORACF-UHFFFAOYSA-N
XLogP4.04
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile?
The IUPAC name of 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile (CID 59263319) is 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile?
The canonical SMILES for 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile is COCC(C)Oc1cc(C#N)cc(Oc2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile?
The InChIKey is MWMBTAABEORACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-11(10-21-2)22-15-3-12(9-20)4-16(8-15)23-17-6-13(18)5-14(19)7-17/h3-8,11H,10H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile?
3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile has a molecular weight of 319.31 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzonitrile is sourced from PubChem (CID 59263319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).