4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile

C17H13NO2 — CID 143402163

IUPAC4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile
SMILESC=Cc1c(-c2ccc(C#N)cc2)ccc(OC)c1C=O
InChIInChI=1S/C17H13NO2/c1-3-14-15(8-9-17(20-2)16(14)11-19)13-6-4-12(10-18)5-7-13/h3-9,11H,1H2,2H3
InChIKeyLRQRBXRXRQYBCN-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.69
Rot. Bonds4

About 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile

4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile (PubChem CID 143402163) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile.

Molecular Properties

Compound Name4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile
PubChem CID143402163
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile
SMILESC=Cc1c(-c2ccc(C#N)cc2)ccc(OC)c1C=O
InChIInChI=1S/C17H13NO2/c1-3-14-15(8-9-17(20-2)16(14)11-19)13-6-4-12(10-18)5-7-13/h3-9,11H,1H2,2H3
InChIKeyLRQRBXRXRQYBCN-UHFFFAOYSA-N
XLogP3.69
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.69
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-(3-formyl-4-methoxy-2-methylphenyl)benzonitrile
CID 58902887
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile
CID 167185408
2-fluoro-3-formyl-4-methoxybenzonitrile
CID 131267747
3-(2-formylfuran-3-yl)-4-methoxybenzonitrile
CID 106951012
2-formyl-3-methoxybenzonitrile
CID 122401577
5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride
CID 54293820
4-(2-formylfuran-3-yl)benzonitrile
CID 154368989
3-ethenoxy-4-methoxybenzonitrile
CID 45091196
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile
CID 57057404
4-methoxy-3-[4-[(methylsulfonimidoyl)methyl]phenyl]benzonitrile
CID 167883574

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile?
The IUPAC name of 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile (CID 143402163) is 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile.
What is the SMILES notation for 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile?
The canonical SMILES for 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile is C=Cc1c(-c2ccc(C#N)cc2)ccc(OC)c1C=O.
What is the InChIKey of 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile?
The InChIKey is LRQRBXRXRQYBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-3-14-15(8-9-17(20-2)16(14)11-19)13-6-4-12(10-18)5-7-13/h3-9,11H,1H2,2H3.
What are the key properties of 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile?
4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile is sourced from PubChem (CID 143402163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).