methyl 2-(2-hydroxyphenyl)-2-methoxyacetate

C10H12O4 — CID 12590436

IUPACmethyl 2-(2-hydroxyphenyl)-2-methoxyacetate
SMILESCOC(=O)C(OC)c1ccccc1O
InChIInChI=1S/C10H12O4/c1-13-9(10(12)14-2)7-5-3-4-6-8(7)11/h3-6,9,11H,1-2H3
InChIKeyMBRTVWOUUCGLNY-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.25
Rot. Bonds3

About methyl 2-(2-hydroxyphenyl)-2-methoxyacetate

methyl 2-(2-hydroxyphenyl)-2-methoxyacetate (PubChem CID 12590436) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is methyl 2-(2-hydroxyphenyl)-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyphenyl)-2-methoxyacetate
PubChem CID12590436
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namemethyl 2-(2-hydroxyphenyl)-2-methoxyacetate
SMILESCOC(=O)C(OC)c1ccccc1O
InChIInChI=1S/C10H12O4/c1-13-9(10(12)14-2)7-5-3-4-6-8(7)11/h3-6,9,11H,1-2H3
InChIKeyMBRTVWOUUCGLNY-UHFFFAOYSA-N
XLogP1.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-hydroxyphenyl)-2-methoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyphenyl)-2-methoxyacetate?
The IUPAC name of methyl 2-(2-hydroxyphenyl)-2-methoxyacetate (CID 12590436) is methyl 2-(2-hydroxyphenyl)-2-methoxyacetate.
What is the SMILES notation for methyl 2-(2-hydroxyphenyl)-2-methoxyacetate?
The canonical SMILES for methyl 2-(2-hydroxyphenyl)-2-methoxyacetate is COC(=O)C(OC)c1ccccc1O.
What is the InChIKey of methyl 2-(2-hydroxyphenyl)-2-methoxyacetate?
The InChIKey is MBRTVWOUUCGLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-9(10(12)14-2)7-5-3-4-6-8(7)11/h3-6,9,11H,1-2H3.
What are the key properties of methyl 2-(2-hydroxyphenyl)-2-methoxyacetate?
methyl 2-(2-hydroxyphenyl)-2-methoxyacetate has a molecular weight of 196.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyphenyl)-2-methoxyacetate is sourced from PubChem (CID 12590436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).