3-(4-formyl-2-methylphenoxy)benzonitrile

C15H11NO2 — CID 62121795

IUPAC3-(4-formyl-2-methylphenoxy)benzonitrile
SMILESCc1cc(C=O)ccc1Oc1cccc(C#N)c1
InChIInChI=1S/C15H11NO2/c1-11-7-13(10-17)5-6-15(11)18-14-4-2-3-12(8-14)9-16/h2-8,10H,1H3
InChIKeyMYQYGBHXAVMGON-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.47
Rot. Bonds3

About 3-(4-formyl-2-methylphenoxy)benzonitrile

3-(4-formyl-2-methylphenoxy)benzonitrile (PubChem CID 62121795) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(4-formyl-2-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-(4-formyl-2-methylphenoxy)benzonitrile
PubChem CID62121795
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name3-(4-formyl-2-methylphenoxy)benzonitrile
SMILESCc1cc(C=O)ccc1Oc1cccc(C#N)c1
InChIInChI=1S/C15H11NO2/c1-11-7-13(10-17)5-6-15(11)18-14-4-2-3-12(8-14)9-16/h2-8,10H,1H3
InChIKeyMYQYGBHXAVMGON-UHFFFAOYSA-N
XLogP3.47
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.47
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
3-(2-formylphenoxy)benzonitrile
CID 28603906
3-methyl-4-naphthalen-2-yloxybenzaldehyde
CID 63535815
4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
CID 62122305
3-methyl-4-(3-nitrophenoxy)benzonitrile
CID 54915744
4-(3-formylphenoxy)benzonitrile
CID 13238540
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
N-[2-(3-cyanophenoxy)phenyl]formamide
CID 168652990
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
3-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 54794840
4-(5-formyl-2-methylphenoxy)-3,5-dimethylbenzonitrile
CID 105405600

Frequently Asked Questions

What is the IUPAC name of 3-(4-formyl-2-methylphenoxy)benzonitrile?
The IUPAC name of 3-(4-formyl-2-methylphenoxy)benzonitrile (CID 62121795) is 3-(4-formyl-2-methylphenoxy)benzonitrile.
What is the SMILES notation for 3-(4-formyl-2-methylphenoxy)benzonitrile?
The canonical SMILES for 3-(4-formyl-2-methylphenoxy)benzonitrile is Cc1cc(C=O)ccc1Oc1cccc(C#N)c1.
What is the InChIKey of 3-(4-formyl-2-methylphenoxy)benzonitrile?
The InChIKey is MYQYGBHXAVMGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-11-7-13(10-17)5-6-15(11)18-14-4-2-3-12(8-14)9-16/h2-8,10H,1H3.
What are the key properties of 3-(4-formyl-2-methylphenoxy)benzonitrile?
3-(4-formyl-2-methylphenoxy)benzonitrile has a molecular weight of 237.26 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formyl-2-methylphenoxy)benzonitrile is sourced from PubChem (CID 62121795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).