methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate

C12H16O4 — CID 117108625

IUPACmethyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate
SMILESCOCCc1cccc(C(O)C(=O)OC)c1
InChIInChI=1S/C12H16O4/c1-15-7-6-9-4-3-5-10(8-9)11(13)12(14)16-2/h3-5,8,11,13H,6-7H2,1-2H3
InChIKeyZNNUHTSHBRHNCI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.08
Rot. Bonds5

About methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate

methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate (PubChem CID 117108625) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate
PubChem CID117108625
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate
SMILESCOCCc1cccc(C(O)C(=O)OC)c1
InChIInChI=1S/C12H16O4/c1-15-7-6-9-4-3-5-10(8-9)11(13)12(14)16-2/h3-5,8,11,13H,6-7H2,1-2H3
InChIKeyZNNUHTSHBRHNCI-UHFFFAOYSA-N
XLogP1.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-(3-propylphenyl)butanoate
CID 116545494
N-hydroxy-3-[3-(2-methoxyethyl)phenyl]propanamide
CID 142811758
2-[3-(2-methoxyethyl)phenyl]acetyl chloride
CID 175188653
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
CID 117108260
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
2-hydroxy-2-[3-(4-phenylbutyl)phenyl]acetamide
CID 89454615
3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
CID 42610605
methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate
CID 117337590
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate
CID 139837903

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate (CID 117108625) is methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate is COCCc1cccc(C(O)C(=O)OC)c1.
What is the InChIKey of methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate?
The InChIKey is ZNNUHTSHBRHNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-15-7-6-9-4-3-5-10(8-9)11(13)12(14)16-2/h3-5,8,11,13H,6-7H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate?
methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate has a molecular weight of 224.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate is sourced from PubChem (CID 117108625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).