ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate

C17H22O3 — CID 156569785

IUPACethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate
SMILESC=C/C(=C\C)COc1cc(C)ccc1CC(=O)OCC
InChIInChI=1S/C17H22O3/c1-5-14(6-2)12-20-16-10-13(4)8-9-15(16)11-17(18)19-7-3/h5-6,8-10H,1,7,11-12H2,2-4H3/b14-6+
InChIKeyWAMYNNSQEKBLMF-MKMNVTDBSA-N
MW274.36 g/mol
LogP3.61
Rot. Bonds7

About ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate

ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate (PubChem CID 156569785) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate
PubChem CID156569785
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Nameethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate
SMILESC=C/C(=C\C)COc1cc(C)ccc1CC(=O)OCC
InChIInChI=1S/C17H22O3/c1-5-14(6-2)12-20-16-10-13(4)8-9-15(16)11-17(18)19-7-3/h5-6,8-10H,1,7,11-12H2,2-4H3/b14-6+
InChIKeyWAMYNNSQEKBLMF-MKMNVTDBSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
CID 134632289
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
ethyl 2-[2-(3-chloropropyl)-5-methylphenyl]acetate
CID 134631766
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-(4-methanethioyl-2-methoxyphenyl)acetate
CID 23282572
ethyl 2-(1,5-dimethylindol-3-yl)acetate
CID 84740898
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[2-(bromomethyl)-5-fluorophenoxy]acetate
CID 21035356
ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate
CID 139576190
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate?
The IUPAC name of ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate (CID 156569785) is ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate?
The canonical SMILES for ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate is C=C/C(=C\C)COc1cc(C)ccc1CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate?
The InChIKey is WAMYNNSQEKBLMF-MKMNVTDBSA-N. The full InChI is InChI=1S/C17H22O3/c1-5-14(6-2)12-20-16-10-13(4)8-9-15(16)11-17(18)19-7-3/h5-6,8-10H,1,7,11-12H2,2-4H3/b14-6+.
What are the key properties of ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate?
ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate has a molecular weight of 274.36 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate is sourced from PubChem (CID 156569785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).