2-(4-ethenoxy-3-methoxyphenyl)acetonitrile

C11H11NO2 — CID 123266381

IUPAC2-(4-ethenoxy-3-methoxyphenyl)acetonitrile
SMILESC=COc1ccc(CC#N)cc1OC
InChIInChI=1S/C11H11NO2/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h3-5,8H,1,6H2,2H3
InChIKeyHMUCCXBFMIPECN-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.28
Rot. Bonds4

About 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile

2-(4-ethenoxy-3-methoxyphenyl)acetonitrile (PubChem CID 123266381) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethenoxy-3-methoxyphenyl)acetonitrile
PubChem CID123266381
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(4-ethenoxy-3-methoxyphenyl)acetonitrile
SMILESC=COc1ccc(CC#N)cc1OC
InChIInChI=1S/C11H11NO2/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h3-5,8H,1,6H2,2H3
InChIKeyHMUCCXBFMIPECN-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
CID 4962241
2-(4-butoxy-3-methoxyphenyl)acetonitrile
CID 21245118
2-(4-formyl-3-methoxyphenyl)acetonitrile
CID 21348723
2-[3-[4-(cyanomethyl)-2-methoxyphenoxy]phenyl]acetonitrile
CID 139463123
[5-(cyanomethyl)-2-methoxyphenyl] acetate
CID 11052761
3-ethenoxy-4-methoxybenzonitrile
CID 45091196
4-(ethenoxymethyl)-1,2-dimethoxybenzene
CID 86205120
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile
CID 82044296
2-[4-methoxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518964
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile (CID 123266381) is 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile is C=COc1ccc(CC#N)cc1OC.
What is the InChIKey of 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile?
The InChIKey is HMUCCXBFMIPECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h3-5,8H,1,6H2,2H3.
What are the key properties of 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile?
2-(4-ethenoxy-3-methoxyphenyl)acetonitrile has a molecular weight of 189.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenoxy-3-methoxyphenyl)acetonitrile is sourced from PubChem (CID 123266381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).