methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate

C12H14O5 — CID 67575819

IUPACmethyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate
SMILESCOC(=O)[C@H](O)c1ccc(OCC(C)=O)cc1
InChIInChI=1S/C12H14O5/c1-8(13)7-17-10-5-3-9(4-6-10)11(14)12(15)16-2/h3-6,11,14H,7H2,1-2H3/t11-/m1/s1
InChIKeyXQIOXTPGIXVEEE-LLVKDONJSA-N
MW238.24 g/mol
LogP0.86
Rot. Bonds5

About methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate

methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate (PubChem CID 67575819) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate
PubChem CID67575819
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namemethyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate
SMILESCOC(=O)[C@H](O)c1ccc(OCC(C)=O)cc1
InChIInChI=1S/C12H14O5/c1-8(13)7-17-10-5-3-9(4-6-10)11(14)12(15)16-2/h3-6,11,14H,7H2,1-2H3/t11-/m1/s1
InChIKeyXQIOXTPGIXVEEE-LLVKDONJSA-N
XLogP0.86
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)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-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
methyl 2-chloro-2-[4-(2-oxopropoxy)phenyl]acetate
CID 174270633
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
methyl 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoate
CID 143703835
2-[4-(2-oxopropoxy)phenyl]propanedioic acid
CID 67574967
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
1-(4-ethylphenoxy)propan-2-one
CID 21325379
tetraethyl 2-[4-(2-oxopropoxy)phenyl]ethane-1,1,1,2-tetracarboxylate
CID 67721650

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate (CID 67575819) is methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate is COC(=O)[C@H](O)c1ccc(OCC(C)=O)cc1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate?
The InChIKey is XQIOXTPGIXVEEE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(13)7-17-10-5-3-9(4-6-10)11(14)12(15)16-2/h3-6,11,14H,7H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate?
methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate has a molecular weight of 238.24 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate is sourced from PubChem (CID 67575819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).