ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate

C15H20O4 — CID 76914392

IUPACethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
SMILESCC=Cc1ccc(OC(C)C(=O)OCC)c(OC)c1
InChIInChI=1S/C15H20O4/c1-5-7-12-8-9-13(14(10-12)17-4)19-11(3)15(16)18-6-2/h5,7-11H,6H2,1-4H3
InChIKeyLUTSIXMOVLFLHR-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.06
Rot. Bonds6

About ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate

ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate (PubChem CID 76914392) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
PubChem CID76914392
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
SMILESCC=Cc1ccc(OC(C)C(=O)OCC)c(OC)c1
InChIInChI=1S/C15H20O4/c1-5-7-12-8-9-13(14(10-12)17-4)19-11(3)15(16)18-6-2/h5,7-11H,6H2,1-4H3
InChIKeyLUTSIXMOVLFLHR-UHFFFAOYSA-N
XLogP3.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 17393273
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474
(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 11372975
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866
2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine
CID 76976965
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one
CID 174893662
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate
CID 21160693
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
ethyl 2-[4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]-2-methoxyphenoxy]propanoate
CID 4038330

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate?
The IUPAC name of ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate (CID 76914392) is ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate.
What is the SMILES notation for ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate?
The canonical SMILES for ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate is CC=Cc1ccc(OC(C)C(=O)OCC)c(OC)c1.
What is the InChIKey of ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate?
The InChIKey is LUTSIXMOVLFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-7-12-8-9-13(14(10-12)17-4)19-11(3)15(16)18-6-2/h5,7-11H,6H2,1-4H3.
What are the key properties of ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate?
ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate has a molecular weight of 264.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate is sourced from PubChem (CID 76914392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).