ethyl 2-(3,4,5-trimethylphenoxy)acetate

C13H18O3 — CID 141147627

IUPACethyl 2-(3,4,5-trimethylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)c(C)c(C)c1
InChIInChI=1S/C13H18O3/c1-5-15-13(14)8-16-12-6-9(2)11(4)10(3)7-12/h6-7H,5,8H2,1-4H3
InChIKeyOSKHMFVOEBBWDF-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-(3,4,5-trimethylphenoxy)acetate

ethyl 2-(3,4,5-trimethylphenoxy)acetate (PubChem CID 141147627) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 2-(3,4,5-trimethylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4,5-trimethylphenoxy)acetate
PubChem CID141147627
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl 2-(3,4,5-trimethylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)c(C)c(C)c1
InChIInChI=1S/C13H18O3/c1-5-15-13(14)8-16-12-6-9(2)11(4)10(3)7-12/h6-7H,5,8H2,1-4H3
InChIKeyOSKHMFVOEBBWDF-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
CID 168944648
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
ethyl 4-(3,5-dimethylphenoxy)-3-oxobutanoate
CID 60643754
ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
CID 5305638
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate
CID 5069097

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4,5-trimethylphenoxy)acetate?
The IUPAC name of ethyl 2-(3,4,5-trimethylphenoxy)acetate (CID 141147627) is ethyl 2-(3,4,5-trimethylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(3,4,5-trimethylphenoxy)acetate?
The canonical SMILES for ethyl 2-(3,4,5-trimethylphenoxy)acetate is CCOC(=O)COc1cc(C)c(C)c(C)c1.
What is the InChIKey of ethyl 2-(3,4,5-trimethylphenoxy)acetate?
The InChIKey is OSKHMFVOEBBWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-5-15-13(14)8-16-12-6-9(2)11(4)10(3)7-12/h6-7H,5,8H2,1-4H3.
What are the key properties of ethyl 2-(3,4,5-trimethylphenoxy)acetate?
ethyl 2-(3,4,5-trimethylphenoxy)acetate has a molecular weight of 222.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4,5-trimethylphenoxy)acetate is sourced from PubChem (CID 141147627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).