2-(2-formyl-4-methoxyphenyl)acetonitrile

C10H9NO2 — CID 55265214

IUPAC2-(2-formyl-4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(CC#N)c(C=O)c1
InChIInChI=1S/C10H9NO2/c1-13-10-3-2-8(4-5-11)9(6-10)7-12/h2-3,6-7H,4H2,1H3
InChIKeyVZTKQBUDALSIFT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.57
Rot. Bonds3

About 2-(2-formyl-4-methoxyphenyl)acetonitrile

2-(2-formyl-4-methoxyphenyl)acetonitrile (PubChem CID 55265214) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(2-formyl-4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-formyl-4-methoxyphenyl)acetonitrile
PubChem CID55265214
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-(2-formyl-4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(CC#N)c(C=O)c1
InChIInChI=1S/C10H9NO2/c1-13-10-3-2-8(4-5-11)9(6-10)7-12/h2-3,6-7H,4H2,1H3
InChIKeyVZTKQBUDALSIFT-UHFFFAOYSA-N
XLogP1.57
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.57
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

2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
2-butyl-5-methoxybenzaldehyde
CID 10631601
2-(4-methoxy-2-nitrophenyl)acetonitrile
CID 11183126
2-(cyanomethyl)-3-formyl-5-methoxybenzonitrile
CID 131611253
5-methoxy-2-(piperazin-1-ylmethyl)benzaldehyde
CID 117340822
methyl 3-(2-formyl-4-methoxyphenyl)propanoate
CID 87139942
5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde
CID 117374187
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 14713110
2-[2-(1-chloro-2-oxopropyl)-4-methoxyphenyl]acetonitrile
CID 131609432
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(2-formyl-4-methoxyphenyl)acetonitrile (CID 55265214) is 2-(2-formyl-4-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2-formyl-4-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(2-formyl-4-methoxyphenyl)acetonitrile is COc1ccc(CC#N)c(C=O)c1.
What is the InChIKey of 2-(2-formyl-4-methoxyphenyl)acetonitrile?
The InChIKey is VZTKQBUDALSIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-10-3-2-8(4-5-11)9(6-10)7-12/h2-3,6-7H,4H2,1H3.
What are the key properties of 2-(2-formyl-4-methoxyphenyl)acetonitrile?
2-(2-formyl-4-methoxyphenyl)acetonitrile has a molecular weight of 175.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 55265214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).