ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate

C15H22O3 — CID 156857056

IUPACethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate
SMILESCCOC(=O)CCOc1cc(C)c(CC)c(C)c1
InChIInChI=1S/C15H22O3/c1-5-14-11(3)9-13(10-12(14)4)18-8-7-15(16)17-6-2/h9-10H,5-8H2,1-4H3
InChIKeyUSLXILFZJPEMPY-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.20
Rot. Bonds6

About ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate

ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate (PubChem CID 156857056) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate
PubChem CID156857056
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate
SMILESCCOC(=O)CCOc1cc(C)c(CC)c(C)c1
InChIInChI=1S/C15H22O3/c1-5-14-11(3)9-13(10-12(14)4)18-8-7-15(16)17-6-2/h9-10H,5-8H2,1-4H3
InChIKeyUSLXILFZJPEMPY-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
CID 107726871
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate
CID 103566190
ethyl 3-[4-(2-aminoethoxy)-2-methylphenyl]propanoate
CID 164576670
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
CID 43365328

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate?
The IUPAC name of ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate (CID 156857056) is ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate.
What is the SMILES notation for ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate?
The canonical SMILES for ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate is CCOC(=O)CCOc1cc(C)c(CC)c(C)c1.
What is the InChIKey of ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate?
The InChIKey is USLXILFZJPEMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-14-11(3)9-13(10-12(14)4)18-8-7-15(16)17-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate?
ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate has a molecular weight of 250.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate is sourced from PubChem (CID 156857056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).