ethyl 2-(4-hydroxyphenoxy)acetate

C10H12O4 — CID 13187337

IUPACethyl 2-(4-hydroxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(O)cc1
InChIInChI=1S/C10H12O4/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,11H,2,7H2,1H3
InChIKeyPBQNKBWWOXOAOE-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-(4-hydroxyphenoxy)acetate

ethyl 2-(4-hydroxyphenoxy)acetate (PubChem CID 13187337) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is ethyl 2-(4-hydroxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxyphenoxy)acetate
PubChem CID13187337
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Nameethyl 2-(4-hydroxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(O)cc1
InChIInChI=1S/C10H12O4/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,11H,2,7H2,1H3
InChIKeyPBQNKBWWOXOAOE-UHFFFAOYSA-N
XLogP1.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.33
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)acetate?
The IUPAC name of ethyl 2-(4-hydroxyphenoxy)acetate (CID 13187337) is ethyl 2-(4-hydroxyphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxyphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-hydroxyphenoxy)acetate is CCOC(=O)COc1ccc(O)cc1.
What is the InChIKey of ethyl 2-(4-hydroxyphenoxy)acetate?
The InChIKey is PBQNKBWWOXOAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,11H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-hydroxyphenoxy)acetate?
ethyl 2-(4-hydroxyphenoxy)acetate has a molecular weight of 196.20 g/mol, XLogP of 1.33, 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)acetate is sourced from PubChem (CID 13187337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).