3-methoxy-5-prop-2-enoxybenzonitrile

C11H11NO2 — CID 103566833

IUPAC3-methoxy-5-prop-2-enoxybenzonitrile
SMILESC=CCOc1cc(C#N)cc(OC)c1
InChIInChI=1S/C11H11NO2/c1-3-4-14-11-6-9(8-12)5-10(7-11)13-2/h3,5-7H,1,4H2,2H3
InChIKeyVNHOVXSWXAIIKA-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.13
Rot. Bonds4

About 3-methoxy-5-prop-2-enoxybenzonitrile

3-methoxy-5-prop-2-enoxybenzonitrile (PubChem CID 103566833) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-methoxy-5-prop-2-enoxybenzonitrile.

Molecular Properties

Compound Name3-methoxy-5-prop-2-enoxybenzonitrile
PubChem CID103566833
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-methoxy-5-prop-2-enoxybenzonitrile
SMILESC=CCOc1cc(C#N)cc(OC)c1
InChIInChI=1S/C11H11NO2/c1-3-4-14-11-6-9(8-12)5-10(7-11)13-2/h3,5-7H,1,4H2,2H3
InChIKeyVNHOVXSWXAIIKA-UHFFFAOYSA-N
XLogP2.13
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-but-2-enoxy]-5-methoxybenzonitrile
CID 103567035
3-(2-cyanoethoxy)-5-methoxybenzonitrile
CID 103566780
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832
3-methoxy-5-(2-methylidenebutoxy)benzonitrile
CID 103567099
3-methoxy-5-(3-methylbut-3-enoxy)benzonitrile
CID 103566906
3-bromo-5-methoxy-4-prop-2-enoxybenzonitrile
CID 19618052
3-methoxy-5-[3-(methylamino)propoxy]benzonitrile
CID 103568078
3-(6-hydroxyhexoxy)-5-methoxybenzonitrile
CID 103577964
3-methoxy-5-pent-4-ynoxybenzonitrile
CID 103567166
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
3-(3-cyano-5-methoxyphenoxy)propanoic acid
CID 103566186
3-(3-bromo-2,2-dimethylpropoxy)-5-methoxybenzonitrile
CID 103566652

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-prop-2-enoxybenzonitrile?
The IUPAC name of 3-methoxy-5-prop-2-enoxybenzonitrile (CID 103566833) is 3-methoxy-5-prop-2-enoxybenzonitrile.
What is the SMILES notation for 3-methoxy-5-prop-2-enoxybenzonitrile?
The canonical SMILES for 3-methoxy-5-prop-2-enoxybenzonitrile is C=CCOc1cc(C#N)cc(OC)c1.
What is the InChIKey of 3-methoxy-5-prop-2-enoxybenzonitrile?
The InChIKey is VNHOVXSWXAIIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-4-14-11-6-9(8-12)5-10(7-11)13-2/h3,5-7H,1,4H2,2H3.
What are the key properties of 3-methoxy-5-prop-2-enoxybenzonitrile?
3-methoxy-5-prop-2-enoxybenzonitrile has a molecular weight of 189.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-prop-2-enoxybenzonitrile is sourced from PubChem (CID 103566833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).