(4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate

C20H19NO4 — CID 7804150

IUPAC(4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccc(OCC(=O)OCc2ccc(C#N)cc2)c(OC)c1
InChIInChI=1S/C20H19NO4/c1-3-4-15-9-10-18(19(11-15)23-2)24-14-20(22)25-13-17-7-5-16(12-21)6-8-17/h3,5-11H,1,4,13-14H2,2H3
InChIKeyKVSDJLWTVVVHRY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.42
Rot. Bonds8

About (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate

(4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate (PubChem CID 7804150) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
PubChem CID7804150
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccc(OCC(=O)OCc2ccc(C#N)cc2)c(OC)c1
InChIInChI=1S/C20H19NO4/c1-3-4-15-9-10-18(19(11-15)23-2)24-14-20(22)25-13-17-7-5-16(12-21)6-8-17/h3,5-11H,1,4,13-14H2,2H3
InChIKeyKVSDJLWTVVVHRY-UHFFFAOYSA-N
XLogP3.42
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804200
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849
(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843015
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
4-[[4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 37278246
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804098
2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 175305581
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
(4-cyanophenyl)methyl 2-(2,4,6-trimethylphenoxy)acetate
CID 7997786
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804130
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804101

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The IUPAC name of (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate (CID 7804150) is (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate.
What is the SMILES notation for (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The canonical SMILES for (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate is C=CCc1ccc(OCC(=O)OCc2ccc(C#N)cc2)c(OC)c1.
What is the InChIKey of (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The InChIKey is KVSDJLWTVVVHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-4-15-9-10-18(19(11-15)23-2)24-14-20(22)25-13-17-7-5-16(12-21)6-8-17/h3,5-11H,1,4,13-14H2,2H3.
What are the key properties of (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
(4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate has a molecular weight of 337.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate is sourced from PubChem (CID 7804150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).