4-(3-formylphenoxy)benzonitrile

C14H9NO2 — CID 13238540

IUPAC4-(3-formylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cccc(C=O)c2)cc1
InChIInChI=1S/C14H9NO2/c15-9-11-4-6-13(7-5-11)17-14-3-1-2-12(8-14)10-16/h1-8,10H
InChIKeyZNFFJDNCDHKHEJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.16
Rot. Bonds3

About 4-(3-formylphenoxy)benzonitrile

4-(3-formylphenoxy)benzonitrile (PubChem CID 13238540) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(3-formylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-(3-formylphenoxy)benzonitrile
PubChem CID13238540
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name4-(3-formylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cccc(C=O)c2)cc1
InChIInChI=1S/C14H9NO2/c15-9-11-4-6-13(7-5-11)17-14-3-1-2-12(8-14)10-16/h1-8,10H
InChIKeyZNFFJDNCDHKHEJ-UHFFFAOYSA-N
XLogP3.16
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.16
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

3-(4-formylphenoxy)benzonitrile
CID 13238539
4-(3-fluoro-5-formylphenoxy)benzonitrile
CID 104881312
3-(4-bromophenoxy)benzaldehyde
CID 12874363
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
4-(3-iodophenoxy)benzonitrile
CID 43137980
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
1-[(2R)-4-[3-(4-cyanophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 54338808
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
3-fluoro-4-[(3-formylphenoxy)methyl]benzonitrile
CID 24708023
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795
4-(4-formyl-2-nitrophenoxy)benzonitrile
CID 27815691
4-[3-[[3-(4-cyanophenoxy)anilino]sulfanylamino]phenoxy]benzonitrile
CID 126674701

Frequently Asked Questions

What is the IUPAC name of 4-(3-formylphenoxy)benzonitrile?
The IUPAC name of 4-(3-formylphenoxy)benzonitrile (CID 13238540) is 4-(3-formylphenoxy)benzonitrile.
What is the SMILES notation for 4-(3-formylphenoxy)benzonitrile?
The canonical SMILES for 4-(3-formylphenoxy)benzonitrile is N#Cc1ccc(Oc2cccc(C=O)c2)cc1.
What is the InChIKey of 4-(3-formylphenoxy)benzonitrile?
The InChIKey is ZNFFJDNCDHKHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c15-9-11-4-6-13(7-5-11)17-14-3-1-2-12(8-14)10-16/h1-8,10H.
What are the key properties of 4-(3-formylphenoxy)benzonitrile?
4-(3-formylphenoxy)benzonitrile has a molecular weight of 223.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-formylphenoxy)benzonitrile is sourced from PubChem (CID 13238540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).