2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile

C15H11Cl2NO2 — CID 22683873

IUPAC2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H11Cl2NO2/c1-19-12-4-3-11(8-18)15(7-12)20-9-10-2-5-13(16)14(17)6-10/h2-7H,9H2,1H3
InChIKeyFZQJUQRZQXABDU-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.45
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile

2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile (PubChem CID 22683873) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile
PubChem CID22683873
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H11Cl2NO2/c1-19-12-4-3-11(8-18)15(7-12)20-9-10-2-5-13(16)14(17)6-10/h2-7H,9H2,1H3
InChIKeyFZQJUQRZQXABDU-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

2-methoxy-4-[(2,4,5-trichlorophenoxy)methyl]benzonitrile
CID 106788537
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 106792266
2-(4-ethylphenoxy)-4-methoxybenzonitrile
CID 81306042
5-[[4-(aminomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 65338380
4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788545
5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 71661271
3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
CID 113269444
4-methoxy-2-(2-phenylethoxy)benzonitrile
CID 20986806
5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344467
2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
CID 22996186
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
2-[(E)-but-2-enoxy]-4-methoxybenzonitrile
CID 81306477

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile?
The IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile (CID 22683873) is 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile is COc1ccc(C#N)c(OCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile?
The InChIKey is FZQJUQRZQXABDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-19-12-4-3-11(8-18)15(7-12)20-9-10-2-5-13(16)14(17)6-10/h2-7H,9H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile?
2-[(3,4-dichlorophenyl)methoxy]-4-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 2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile is sourced from PubChem (CID 22683873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).