3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile

C15H11ClFNO2 — CID 8976706

IUPAC3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1ccc(COc2ccc(C#N)cc2Cl)cc1F
InChIInChI=1S/C15H11ClFNO2/c1-19-15-5-3-11(7-13(15)17)9-20-14-4-2-10(8-18)6-12(14)16/h2-7H,9H2,1H3
InChIKeyISPOSACLVYZJAE-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.94
Rot. Bonds4

About 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile

3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile (PubChem CID 8976706) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile
PubChem CID8976706
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1ccc(COc2ccc(C#N)cc2Cl)cc1F
InChIInChI=1S/C15H11ClFNO2/c1-19-15-5-3-11(7-13(15)17)9-20-14-4-2-10(8-18)6-12(14)16/h2-7H,9H2,1H3
InChIKeyISPOSACLVYZJAE-UHFFFAOYSA-N
XLogP3.94
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]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-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile?
The IUPAC name of 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile (CID 8976706) is 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile?
The canonical SMILES for 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile is COc1ccc(COc2ccc(C#N)cc2Cl)cc1F.
What is the InChIKey of 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile?
The InChIKey is ISPOSACLVYZJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c1-19-15-5-3-11(7-13(15)17)9-20-14-4-2-10(8-18)6-12(14)16/h2-7H,9H2,1H3.
What are the key properties of 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile?
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile has a molecular weight of 291.71 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile is sourced from PubChem (CID 8976706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).