methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate

C15H18O6 — CID 67377849

IUPACmethyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
SMILESC=CCc1ccc(OCC(=O)OC)c(OCC(=O)OC)c1
InChIInChI=1S/C15H18O6/c1-4-5-11-6-7-12(20-9-14(16)18-2)13(8-11)21-10-15(17)19-3/h4,6-8H,1,5,9-10H2,2-3H3
InChIKeyNYVJQIXVGABQIY-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.52
Rot. Bonds8

About methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate

methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate (PubChem CID 67377849) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
PubChem CID67377849
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Namemethyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
SMILESC=CCc1ccc(OCC(=O)OC)c(OCC(=O)OC)c1
InChIInChI=1S/C15H18O6/c1-4-5-11-6-7-12(20-9-14(16)18-2)13(8-11)21-10-15(17)19-3/h4,6-8H,1,5,9-10H2,2-3H3
InChIKeyNYVJQIXVGABQIY-UHFFFAOYSA-N
XLogP1.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid
CID 67378095
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
methyl 2-(4-chloro-2-prop-2-enylphenoxy)acetate
CID 69275051
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804098
methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
CID 162516171
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804136
(4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804150
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804101
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804130
(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 142294967

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate?
The IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate (CID 67377849) is methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate.
What is the SMILES notation for methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate?
The canonical SMILES for methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate is C=CCc1ccc(OCC(=O)OC)c(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate?
The InChIKey is NYVJQIXVGABQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-4-5-11-6-7-12(20-9-14(16)18-2)13(8-11)21-10-15(17)19-3/h4,6-8H,1,5,9-10H2,2-3H3.
What are the key properties of methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate?
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate has a molecular weight of 294.30 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate is sourced from PubChem (CID 67377849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).