3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile

C15H11Cl2NO — CID 102665943

IUPAC3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile
SMILESN#Cc1ccc(COCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO/c16-14-5-2-11(3-6-14)9-19-10-13-4-1-12(8-18)7-15(13)17/h1-7H,9-10H2
InChIKeyQQWRDIRGACGUTR-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.58
Rot. Bonds4

About 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile

3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile (PubChem CID 102665943) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile
PubChem CID102665943
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile
SMILESN#Cc1ccc(COCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO/c16-14-5-2-11(3-6-14)9-19-10-13-4-1-12(8-18)7-15(13)17/h1-7H,9-10H2
InChIKeyQQWRDIRGACGUTR-UHFFFAOYSA-N
XLogP4.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile
CID 102665969
3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124497
4-(butoxymethyl)-3-chlorobenzonitrile
CID 102665874
3-chloro-4-(3,3-dimethylbutoxymethyl)benzonitrile
CID 102665948
3-chloro-4-(phenoxymethyl)benzonitrile
CID 102665790
3-chloro-4-[3-(2-methoxyethoxy)propoxymethyl]benzonitrile
CID 103402453
3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile
CID 65125922
4-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-3-chlorobenzonitrile
CID 102668791
4-[[4-(aminomethyl)-2,6-difluorophenoxy]methyl]-3-chlorobenzonitrile
CID 102663702
4-[2-(2-aminophenyl)ethoxymethyl]-3-chlorobenzonitrile
CID 102902381
5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124394
3-chloro-4-[[2-chloro-4-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 102663666

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile?
The IUPAC name of 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile (CID 102665943) is 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile?
The canonical SMILES for 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile is N#Cc1ccc(COCc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile?
The InChIKey is QQWRDIRGACGUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-14-5-2-11(3-6-14)9-19-10-13-4-1-12(8-18)7-15(13)17/h1-7H,9-10H2.
What are the key properties of 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile?
3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile has a molecular weight of 292.17 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile is sourced from PubChem (CID 102665943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).