[4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate

C19H14N2O4 — CID 19217944

IUPAC[4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C#N)cc1
InChIInChI=1S/C19H14N2O4/c1-23-17-4-2-3-5-18(17)24-13-19(22)25-16-8-6-14(7-9-16)10-15(11-20)12-21/h2-10H,13H2,1H3
InChIKeyPZEZEVAJXQTSNS-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.11
Rot. Bonds6

About [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate

[4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 19217944) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate
PubChem CID19217944
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name[4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C#N)cc1
InChIInChI=1S/C19H14N2O4/c1-23-17-4-2-3-5-18(17)24-13-19(22)25-16-8-6-14(7-9-16)10-15(11-20)12-21/h2-10H,13H2,1H3
InChIKeyPZEZEVAJXQTSNS-UHFFFAOYSA-N
XLogP3.11
TPSA92.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(2,2-dicyanoethenyl)phenyl] 2-(2-propan-2-ylphenoxy)acetate
CID 19218392
[4-(2,2-dicyanoethenyl)phenyl] 2-(4-methylphenoxy)acetate
CID 19212704
[4-(2,2-dicyanoethenyl)phenyl] 2-(3,5-dimethylphenoxy)acetate
CID 19217544
[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19179231
[4-(2,2-dicyanoethenyl)phenyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 19220048
[4-(2,2-dicyanoethenyl)phenyl] 2-(2-bromo-4-propylphenoxy)acetate
CID 19219976
2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide
CID 4778390
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
[4-(2,2-dicyanoethenyl)phenyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 19218355
[4-(2,2-dicyanoethenyl)phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 19211686
[4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 19217374
[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 2-(2-methylphenoxy)acetate
CID 19217709

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate (CID 19217944) is [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C#N)cc1.
What is the InChIKey of [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is PZEZEVAJXQTSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-23-17-4-2-3-5-18(17)24-13-19(22)25-16-8-6-14(7-9-16)10-15(11-20)12-21/h2-10H,13H2,1H3.
What are the key properties of [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate?
[4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 334.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 19217944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).