ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate

C14H18O5 — CID 86058897

IUPACethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(CC)c(O)c1C(C)=O
InChIInChI=1S/C14H18O5/c1-4-10-6-7-11(13(9(3)15)14(10)17)19-8-12(16)18-5-2/h6-7,17H,4-5,8H2,1-3H3
InChIKeyVXOINFJAEBCTLX-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.10
Rot. Bonds6

About ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate

ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate (PubChem CID 86058897) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate
PubChem CID86058897
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(CC)c(O)c1C(C)=O
InChIInChI=1S/C14H18O5/c1-4-10-6-7-11(13(9(3)15)14(10)17)19-8-12(16)18-5-2/h6-7,17H,4-5,8H2,1-3H3
InChIKeyVXOINFJAEBCTLX-UHFFFAOYSA-N
XLogP2.10
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-acetyl-3-[3-[2-acetyl-3-(2-ethoxy-2-oxoethoxy)phenoxy]-2-hydroxypropoxy]phenoxy]acetate
CID 3086909
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
ethyl 2-[4-(2-aminoacetyl)-2-ethyl-3-hydroxyphenoxy]acetate
CID 67247334
ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate
CID 90790043
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056
ethyl 2-(4-iodo-2-methylphenoxy)acetate
CID 57361058
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-(2-methyl-4-sulfanylphenoxy)acetate
CID 16641178
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate
CID 88557090
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate?
The IUPAC name of ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate (CID 86058897) is ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate?
The canonical SMILES for ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate is CCOC(=O)COc1ccc(CC)c(O)c1C(C)=O.
What is the InChIKey of ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate?
The InChIKey is VXOINFJAEBCTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-10-6-7-11(13(9(3)15)14(10)17)19-8-12(16)18-5-2/h6-7,17H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate?
ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate has a molecular weight of 266.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate is sourced from PubChem (CID 86058897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).