methyl 2-(4-hydroxyphenyl)acetate

C9H10O3 — CID 518900

IUPACmethyl 2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3
InChIKeyXGDZEDRBLVIUMX-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.11
Rot. Bonds2

About methyl 2-(4-hydroxyphenyl)acetate

methyl 2-(4-hydroxyphenyl)acetate (PubChem CID 518900) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenyl)acetate
PubChem CID518900
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Namemethyl 2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3
InChIKeyXGDZEDRBLVIUMX-UHFFFAOYSA-N
XLogP1.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(4-hydroxyphenyl)acetate (CID 518900) is methyl 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(4-hydroxyphenyl)acetate is COC(=O)Cc1ccc(O)cc1.
What is the InChIKey of methyl 2-(4-hydroxyphenyl)acetate?
The InChIKey is XGDZEDRBLVIUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3.
What are the key properties of methyl 2-(4-hydroxyphenyl)acetate?
methyl 2-(4-hydroxyphenyl)acetate has a molecular weight of 166.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 518900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).