ethyl 2-(4-methylphenoxy)acetate

C11H14O3 — CID 4047281

IUPACethyl 2-(4-methylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(C)cc1
InChIInChI=1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyUMNOIMVMNARUSB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.94
Rot. Bonds4

About ethyl 2-(4-methylphenoxy)acetate

ethyl 2-(4-methylphenoxy)acetate (PubChem CID 4047281) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenoxy)acetate
PubChem CID4047281
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameethyl 2-(4-methylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(C)cc1
InChIInChI=1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyUMNOIMVMNARUSB-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-methylphenoxy)acetate (CID 4047281) is ethyl 2-(4-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-methylphenoxy)acetate is CCOC(=O)COc1ccc(C)cc1.
What is the InChIKey of ethyl 2-(4-methylphenoxy)acetate?
The InChIKey is UMNOIMVMNARUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenoxy)acetate?
ethyl 2-(4-methylphenoxy)acetate has a molecular weight of 194.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 4047281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).