dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate

C13H14O7 — CID 71591990

IUPACdimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(c2ccccc2O)O[C@H]1C(=O)OC
InChIInChI=1S/C13H14O7/c1-17-11(15)9-10(12(16)18-2)20-13(19-9)7-5-3-4-6-8(7)14/h3-6,9-10,13-14H,1-2H3/t9-,10-/m1/s1
InChIKeyCDOOJNPGXCILMV-NXEZZACHSA-N
MW282.25 g/mol
LogP0.52
Rot. Bonds3

About dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate

dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 71591990) has the molecular formula C13H14O7 and a molecular weight of 282.25 g/mol. Its IUPAC name is dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
PubChem CID71591990
Molecular FormulaC13H14O7
Molecular Weight282.25 g/mol
Exact Mass282.07
IUPAC Namedimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(c2ccccc2O)O[C@H]1C(=O)OC
InChIInChI=1S/C13H14O7/c1-17-11(15)9-10(12(16)18-2)20-13(19-9)7-5-3-4-6-8(7)14/h3-6,9-10,13-14H,1-2H3/t9-,10-/m1/s1
InChIKeyCDOOJNPGXCILMV-NXEZZACHSA-N
XLogP0.52
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate 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 dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate (CID 71591990) is dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate is COC(=O)[C@@H]1OC(c2ccccc2O)O[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is CDOOJNPGXCILMV-NXEZZACHSA-N. The full InChI is InChI=1S/C13H14O7/c1-17-11(15)9-10(12(16)18-2)20-13(19-9)7-5-3-4-6-8(7)14/h3-6,9-10,13-14H,1-2H3/t9-,10-/m1/s1.
What are the key properties of dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 282.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 71591990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).