5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile

C15H11Cl2NO2 — CID 65344467

IUPAC5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(COc2cccc(Cl)c2Cl)cc1C#N
InChIInChI=1S/C15H11Cl2NO2/c1-19-13-6-5-10(7-11(13)8-18)9-20-14-4-2-3-12(16)15(14)17/h2-7H,9H2,1H3
InChIKeyAFAOOGQCWLCSIR-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.45
Rot. Bonds4

About 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile

5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile (PubChem CID 65344467) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
PubChem CID65344467
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(COc2cccc(Cl)c2Cl)cc1C#N
InChIInChI=1S/C15H11Cl2NO2/c1-19-13-6-5-10(7-11(13)8-18)9-20-14-4-2-3-12(16)15(14)17/h2-7H,9H2,1H3
InChIKeyAFAOOGQCWLCSIR-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

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Related Compounds

4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788545
5-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 114320911
5-[[4-(aminomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 65338380
2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 65341087
5-[[3-(chloromethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339485
2-methoxy-4-[(2,4,5-trichlorophenoxy)methyl]benzonitrile
CID 106788537
5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344295
4-[(2-amino-6-chlorophenoxy)methyl]-2-methoxybenzonitrile
CID 107715917
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 106792266
5-[[3-(2-aminoethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339062
2-methoxy-5-(phenylmethoxymethyl)benzonitrile
CID 65343797

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile (CID 65344467) is 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile is COc1ccc(COc2cccc(Cl)c2Cl)cc1C#N.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile?
The InChIKey is AFAOOGQCWLCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-19-13-6-5-10(7-11(13)8-18)9-20-14-4-2-3-12(16)15(14)17/h2-7H,9H2,1H3.
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile?
5-[(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 5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65344467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).