4-(5-bromo-2-formylphenoxy)benzonitrile

C14H8BrNO2 — CID 43364710

IUPAC4-(5-bromo-2-formylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(Br)ccc2C=O)cc1
InChIInChI=1S/C14H8BrNO2/c15-12-4-3-11(9-17)14(7-12)18-13-5-1-10(8-16)2-6-13/h1-7,9H
InChIKeyWWBJADNPYWDWTJ-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.93
Rot. Bonds3

About 4-(5-bromo-2-formylphenoxy)benzonitrile

4-(5-bromo-2-formylphenoxy)benzonitrile (PubChem CID 43364710) has the molecular formula C14H8BrNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is 4-(5-bromo-2-formylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-(5-bromo-2-formylphenoxy)benzonitrile
PubChem CID43364710
Molecular FormulaC14H8BrNO2
Molecular Weight302.13 g/mol
Exact Mass300.97
IUPAC Name4-(5-bromo-2-formylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(Br)ccc2C=O)cc1
InChIInChI=1S/C14H8BrNO2/c15-12-4-3-11(9-17)14(7-12)18-13-5-1-10(8-16)2-6-13/h1-7,9H
InChIKeyWWBJADNPYWDWTJ-UHFFFAOYSA-N
XLogP3.93
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 28876598
ethane;4-(2-formyl-4-methylphenoxy)benzonitrile
CID 143820055
4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde
CID 43364721
[2-bromo-5-[4-(4-cyanophenoxy)-2-formylphenoxy]phenyl] acetate
CID 175674958
3-[(5-bromo-2-formylphenoxy)methyl]benzonitrile
CID 164566411
2-(1,3-benzodioxol-5-yloxy)-4-bromobenzaldehyde
CID 43364678
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-[4-bromo-2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 82970383
2-(4-bromophenoxy)benzaldehyde
CID 28604058
4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
3-bromo-4-formylbenzonitrile
CID 20510518

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-formylphenoxy)benzonitrile?
The IUPAC name of 4-(5-bromo-2-formylphenoxy)benzonitrile (CID 43364710) is 4-(5-bromo-2-formylphenoxy)benzonitrile.
What is the SMILES notation for 4-(5-bromo-2-formylphenoxy)benzonitrile?
The canonical SMILES for 4-(5-bromo-2-formylphenoxy)benzonitrile is N#Cc1ccc(Oc2cc(Br)ccc2C=O)cc1.
What is the InChIKey of 4-(5-bromo-2-formylphenoxy)benzonitrile?
The InChIKey is WWBJADNPYWDWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2/c15-12-4-3-11(9-17)14(7-12)18-13-5-1-10(8-16)2-6-13/h1-7,9H.
What are the key properties of 4-(5-bromo-2-formylphenoxy)benzonitrile?
4-(5-bromo-2-formylphenoxy)benzonitrile has a molecular weight of 302.13 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-formylphenoxy)benzonitrile is sourced from PubChem (CID 43364710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).