methyl 2-(4-hydroxyphenoxy)acetate

C9H10O4 — CID 602731

IUPACmethyl 2-(4-hydroxyphenoxy)acetate
SMILESCOC(=O)COc1ccc(O)cc1
InChIInChI=1S/C9H10O4/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5,10H,6H2,1H3
InChIKeyOITXOTZGDJLEBU-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.94
Rot. Bonds3

About methyl 2-(4-hydroxyphenoxy)acetate

methyl 2-(4-hydroxyphenoxy)acetate (PubChem CID 602731) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenoxy)acetate
PubChem CID602731
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Namemethyl 2-(4-hydroxyphenoxy)acetate
SMILESCOC(=O)COc1ccc(O)cc1
InChIInChI=1S/C9H10O4/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5,10H,6H2,1H3
InChIKeyOITXOTZGDJLEBU-UHFFFAOYSA-N
XLogP0.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenoxy)acetate?
The IUPAC name of methyl 2-(4-hydroxyphenoxy)acetate (CID 602731) is methyl 2-(4-hydroxyphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-hydroxyphenoxy)acetate?
The canonical SMILES for methyl 2-(4-hydroxyphenoxy)acetate is COC(=O)COc1ccc(O)cc1.
What is the InChIKey of methyl 2-(4-hydroxyphenoxy)acetate?
The InChIKey is OITXOTZGDJLEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5,10H,6H2,1H3.
What are the key properties of methyl 2-(4-hydroxyphenoxy)acetate?
methyl 2-(4-hydroxyphenoxy)acetate has a molecular weight of 182.17 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenoxy)acetate is sourced from PubChem (CID 602731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).