3-[(4-bromophenyl)methoxy]benzonitrile

C14H10BrNO — CID 2235437

IUPAC3-[(4-bromophenyl)methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C14H10BrNO/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8H,10H2
InChIKeyNXAQGAGXVWWKJP-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.90
Rot. Bonds3

About 3-[(4-bromophenyl)methoxy]benzonitrile

3-[(4-bromophenyl)methoxy]benzonitrile (PubChem CID 2235437) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]benzonitrile
PubChem CID2235437
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name3-[(4-bromophenyl)methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C14H10BrNO/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8H,10H2
InChIKeyNXAQGAGXVWWKJP-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]benzonitrile?
The IUPAC name of 3-[(4-bromophenyl)methoxy]benzonitrile (CID 2235437) is 3-[(4-bromophenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]benzonitrile?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]benzonitrile is N#Cc1cccc(OCc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]benzonitrile?
The InChIKey is NXAQGAGXVWWKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8H,10H2.
What are the key properties of 3-[(4-bromophenyl)methoxy]benzonitrile?
3-[(4-bromophenyl)methoxy]benzonitrile has a molecular weight of 288.14 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]benzonitrile is sourced from PubChem (CID 2235437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).