4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile

C15H11Cl2NO2 — CID 106788545

IUPAC4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1cc(COc2cccc(Cl)c2Cl)ccc1C#N
InChIInChI=1S/C15H11Cl2NO2/c1-19-14-7-10(5-6-11(14)8-18)9-20-13-4-2-3-12(16)15(13)17/h2-7H,9H2,1H3
InChIKeyXNFVTLJRDVGOOO-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.45
Rot. Bonds4

About 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile

4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile (PubChem CID 106788545) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
PubChem CID106788545
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1cc(COc2cccc(Cl)c2Cl)ccc1C#N
InChIInChI=1S/C15H11Cl2NO2/c1-19-14-7-10(5-6-11(14)8-18)9-20-13-4-2-3-12(16)15(13)17/h2-7H,9H2,1H3
InChIKeyXNFVTLJRDVGOOO-UHFFFAOYSA-N
XLogP4.45
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile 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

5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344467
2-methoxy-4-[(2,4,5-trichlorophenoxy)methyl]benzonitrile
CID 106788537
4-[(2-amino-6-chlorophenoxy)methyl]-2-methoxybenzonitrile
CID 107715917
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 106792266
2-[(4-cyano-3-methoxyphenyl)methoxy]-6-fluorobenzonitrile
CID 106788587
5-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 114320911
4-[[2-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788619
4-[(2-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788489
4-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-2-methoxybenzonitrile
CID 106792150
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
4-[[3-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788603
2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile
CID 22683873

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile (CID 106788545) is 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile is COc1cc(COc2cccc(Cl)c2Cl)ccc1C#N.
What is the InChIKey of 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile?
The InChIKey is XNFVTLJRDVGOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-19-14-7-10(5-6-11(14)8-18)9-20-13-4-2-3-12(16)15(13)17/h2-7H,9H2,1H3.
What are the key properties of 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile?
4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile has a molecular weight of 308.16 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106788545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).