4-[4-(bromomethoxy)phenyl]benzonitrile

C14H10BrNO — CID 174243414

IUPAC4-[4-(bromomethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCBr)cc2)cc1
InChIInChI=1S/C14H10BrNO/c15-10-17-14-7-5-13(6-8-14)12-3-1-11(9-16)2-4-12/h1-8H,10H2
InChIKeyAEOUNXUZXNOHRB-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.96
Rot. Bonds3

About 4-[4-(bromomethoxy)phenyl]benzonitrile

4-[4-(bromomethoxy)phenyl]benzonitrile (PubChem CID 174243414) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-[4-(bromomethoxy)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(bromomethoxy)phenyl]benzonitrile
PubChem CID174243414
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name4-[4-(bromomethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCBr)cc2)cc1
InChIInChI=1S/C14H10BrNO/c15-10-17-14-7-5-13(6-8-14)12-3-1-11(9-16)2-4-12/h1-8H,10H2
InChIKeyAEOUNXUZXNOHRB-UHFFFAOYSA-N
XLogP3.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(11-bromoundecoxy)phenyl]benzonitrile
CID 19768950
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371
4-[4-[(4-methylphenoxy)methoxy]phenyl]benzonitrile
CID 129203224
4-[4-(4-aminobutoxy)phenyl]benzonitrile
CID 19035301
4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
CID 7670973
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
4-[4-[(E)-but-2-enoxy]phenyl]benzonitrile
CID 70154357
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
4-[4-[7-[2-[7-[4-[4-[7-[2-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenoxy]heptoxy]phenyl]benzonitrile
CID 102084171
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537

Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethoxy)phenyl]benzonitrile?
The IUPAC name of 4-[4-(bromomethoxy)phenyl]benzonitrile (CID 174243414) is 4-[4-(bromomethoxy)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(bromomethoxy)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(bromomethoxy)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(OCBr)cc2)cc1.
What is the InChIKey of 4-[4-(bromomethoxy)phenyl]benzonitrile?
The InChIKey is AEOUNXUZXNOHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-10-17-14-7-5-13(6-8-14)12-3-1-11(9-16)2-4-12/h1-8H,10H2.
What are the key properties of 4-[4-(bromomethoxy)phenyl]benzonitrile?
4-[4-(bromomethoxy)phenyl]benzonitrile has a molecular weight of 288.14 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethoxy)phenyl]benzonitrile is sourced from PubChem (CID 174243414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).