2-[2-(bromomethyl)phenoxy]benzonitrile

C14H10BrNO — CID 107086481

IUPAC2-[2-(bromomethyl)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1CBr
InChIInChI=1S/C14H10BrNO/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8H,9H2
InChIKeyJZPFEYOVOWOWPK-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.25
Rot. Bonds3

About 2-[2-(bromomethyl)phenoxy]benzonitrile

2-[2-(bromomethyl)phenoxy]benzonitrile (PubChem CID 107086481) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-[2-(bromomethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(bromomethyl)phenoxy]benzonitrile
PubChem CID107086481
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name2-[2-(bromomethyl)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1CBr
InChIInChI=1S/C14H10BrNO/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8H,9H2
InChIKeyJZPFEYOVOWOWPK-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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

2-(2-cyanophenoxy)benzonitrile
CID 13435570
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
2-[3-bromo-4-(bromomethyl)phenoxy]benzonitrile
CID 114060599
3-[2-(bromomethyl)phenoxy]-4-methylbenzonitrile
CID 107659206
2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile
CID 18669356
ethane;propane;2-propan-2-yloxybenzonitrile
CID 145341858
(2-cyanophenyl) hypoiodite
CID 154315791
2-[[2-(bromomethyl)-6-ethoxyphenoxy]methyl]benzonitrile
CID 43366847
5-amino-2-(2-ethylphenoxy)benzonitrile
CID 61295805
2-(2-bromoethyl)benzonitrile
CID 57227888
2-(cyanomethoxy)benzonitrile
CID 4156437
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19922197

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)phenoxy]benzonitrile?
The IUPAC name of 2-[2-(bromomethyl)phenoxy]benzonitrile (CID 107086481) is 2-[2-(bromomethyl)phenoxy]benzonitrile.
What is the SMILES notation for 2-[2-(bromomethyl)phenoxy]benzonitrile?
The canonical SMILES for 2-[2-(bromomethyl)phenoxy]benzonitrile is N#Cc1ccccc1Oc1ccccc1CBr.
What is the InChIKey of 2-[2-(bromomethyl)phenoxy]benzonitrile?
The InChIKey is JZPFEYOVOWOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8H,9H2.
What are the key properties of 2-[2-(bromomethyl)phenoxy]benzonitrile?
2-[2-(bromomethyl)phenoxy]benzonitrile has a molecular weight of 288.14 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)phenoxy]benzonitrile is sourced from PubChem (CID 107086481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).