ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate

C13H15NO4 — CID 103566190

IUPACethyl 3-(3-cyano-5-methoxyphenoxy)propanoate
SMILESCCOC(=O)CCOc1cc(C#N)cc(OC)c1
InChIInChI=1S/C13H15NO4/c1-3-17-13(15)4-5-18-12-7-10(9-14)6-11(8-12)16-2/h6-8H,3-5H2,1-2H3
InChIKeySLQZVOJZELQEDU-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.90
Rot. Bonds6

About ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate

ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate (PubChem CID 103566190) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-cyano-5-methoxyphenoxy)propanoate
PubChem CID103566190
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Nameethyl 3-(3-cyano-5-methoxyphenoxy)propanoate
SMILESCCOC(=O)CCOc1cc(C#N)cc(OC)c1
InChIInChI=1S/C13H15NO4/c1-3-17-13(15)4-5-18-12-7-10(9-14)6-11(8-12)16-2/h6-8H,3-5H2,1-2H3
InChIKeySLQZVOJZELQEDU-UHFFFAOYSA-N
XLogP1.90
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide
CID 103567047
3-(3-cyano-5-methoxyphenoxy)propanoic acid
CID 103566186
3-methoxy-5-(3-methylbut-3-enoxy)benzonitrile
CID 103566906
ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate
CID 62012609
2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide
CID 103568365
3-(2-cyanoethoxy)-5-methoxybenzonitrile
CID 103566780
ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate
CID 156857056
3-(6-hydroxyhexoxy)-5-methoxybenzonitrile
CID 103577964
ethyl 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetate
CID 103566244
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate?
The IUPAC name of ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate (CID 103566190) is ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate.
What is the SMILES notation for ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate?
The canonical SMILES for ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate is CCOC(=O)CCOc1cc(C#N)cc(OC)c1.
What is the InChIKey of ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate?
The InChIKey is SLQZVOJZELQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-17-13(15)4-5-18-12-7-10(9-14)6-11(8-12)16-2/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate?
ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate has a molecular weight of 249.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate is sourced from PubChem (CID 103566190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).