2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile

C15H12BrNO2 — CID 107712390

IUPAC2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2CCO)cc1Br
InChIInChI=1S/C15H12BrNO2/c16-14-9-13(6-5-12(14)10-17)19-15-4-2-1-3-11(15)7-8-18/h1-6,9,18H,7-8H2
InChIKeyRJMNRKYCMGUVHU-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.65
Rot. Bonds4

About 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile

2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile (PubChem CID 107712390) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
PubChem CID107712390
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2CCO)cc1Br
InChIInChI=1S/C15H12BrNO2/c16-14-9-13(6-5-12(14)10-17)19-15-4-2-1-3-11(15)7-8-18/h1-6,9,18H,7-8H2
InChIKeyRJMNRKYCMGUVHU-UHFFFAOYSA-N
XLogP3.65
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107276928
2-bromo-4-(2-chlorophenoxy)benzonitrile
CID 107276919
2-bromo-4-(2-methylphenoxy)benzonitrile
CID 107276924
2-(3-bromo-4-cyanophenoxy)benzoic acid
CID 107281295
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile
CID 107712429
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712613
N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
CID 107276937
2-[3-bromo-4-(bromomethyl)phenoxy]benzonitrile
CID 114060599
4-(3-amino-2-methylphenoxy)-2-bromobenzonitrile
CID 107280439
2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile
CID 107712408
2-bromo-4-(2-hydroxyethyl)benzonitrile
CID 67514555
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile?
The IUPAC name of 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile (CID 107712390) is 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile.
What is the SMILES notation for 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile?
The canonical SMILES for 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile is N#Cc1ccc(Oc2ccccc2CCO)cc1Br.
What is the InChIKey of 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile?
The InChIKey is RJMNRKYCMGUVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-14-9-13(6-5-12(14)10-17)19-15-4-2-1-3-11(15)7-8-18/h1-6,9,18H,7-8H2.
What are the key properties of 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile?
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile has a molecular weight of 318.17 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile is sourced from PubChem (CID 107712390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).