4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile

C15H11BrClNO — CID 102665969

IUPAC4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile
SMILESN#Cc1ccc(COCc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C15H11BrClNO/c16-14-4-2-1-3-12(14)9-19-10-13-6-5-11(8-18)7-15(13)17/h1-7H,9-10H2
InChIKeySUYBPZHQBKXQCE-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.69
Rot. Bonds4

About 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile

4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile (PubChem CID 102665969) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile
PubChem CID102665969
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile
SMILESN#Cc1ccc(COCc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C15H11BrClNO/c16-14-4-2-1-3-12(14)9-19-10-13-6-5-11(8-18)7-15(13)17/h1-7H,9-10H2
InChIKeySUYBPZHQBKXQCE-UHFFFAOYSA-N
XLogP4.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile
CID 102665943
3-chloro-4-(phenoxymethyl)benzonitrile
CID 102665790
4-[2-(2-aminophenyl)ethoxymethyl]-3-chlorobenzonitrile
CID 102902381
3-bromo-4-[(2-chlorophenyl)methoxy]benzonitrile
CID 20987819
3-chloro-4-(3,3-dimethylbutoxymethyl)benzonitrile
CID 102665948
3-chloro-4-[(2,4-dibromophenoxy)methyl]benzonitrile
CID 102665938
4-(butoxymethyl)-3-chlorobenzonitrile
CID 102665874
3-chloro-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]benzonitrile
CID 102668796
4-[(2-bromo-4-methylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665839
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chlorobenzonitrile
CID 102665843
4-[(4-bromo-3-methylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665972
2-[2-[(2-chloro-4-cyanophenyl)methoxy]phenyl]acetic acid
CID 102663373

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile?
The IUPAC name of 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile (CID 102665969) is 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile.
What is the SMILES notation for 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile?
The canonical SMILES for 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile is N#Cc1ccc(COCc2ccccc2Br)c(Cl)c1.
What is the InChIKey of 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile?
The InChIKey is SUYBPZHQBKXQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO/c16-14-4-2-1-3-12(14)9-19-10-13-6-5-11(8-18)7-15(13)17/h1-7H,9-10H2.
What are the key properties of 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile?
4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile has a molecular weight of 336.62 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile is sourced from PubChem (CID 102665969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).