ethyl 2-(4-hydroxyphenoxy)propanoate

C11H14O4 — CID 3017597

IUPACethyl 2-(4-hydroxyphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3
InChIKeyILYSHPJWNMPBPE-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds4

About ethyl 2-(4-hydroxyphenoxy)propanoate

ethyl 2-(4-hydroxyphenoxy)propanoate (PubChem CID 3017597) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-(4-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxyphenoxy)propanoate
PubChem CID3017597
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 2-(4-hydroxyphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3
InChIKeyILYSHPJWNMPBPE-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxyphenoxy)propanoate?
The IUPAC name of ethyl 2-(4-hydroxyphenoxy)propanoate (CID 3017597) is ethyl 2-(4-hydroxyphenoxy)propanoate.
What is the SMILES notation for ethyl 2-(4-hydroxyphenoxy)propanoate?
The canonical SMILES for ethyl 2-(4-hydroxyphenoxy)propanoate is CCOC(=O)C(C)Oc1ccc(O)cc1.
What is the InChIKey of ethyl 2-(4-hydroxyphenoxy)propanoate?
The InChIKey is ILYSHPJWNMPBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxyphenoxy)propanoate?
ethyl 2-(4-hydroxyphenoxy)propanoate has a molecular weight of 210.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxyphenoxy)propanoate is sourced from PubChem (CID 3017597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).