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

C13H14O7 — CID 71591991

IUPACdimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)C1OC(c2ccccc2O)OC1C(=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
InChIKeyCDOOJNPGXCILMV-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.52
Rot. Bonds3

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

dimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 71591991) has the molecular formula C13H14O7 and a molecular weight of 282.25 g/mol. Its IUPAC name is dimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
PubChem CID71591991
Molecular FormulaC13H14O7
Molecular Weight282.25 g/mol
Exact Mass282.07
IUPAC Namedimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)C1OC(c2ccccc2O)OC1C(=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
InChIKeyCDOOJNPGXCILMV-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate (CID 71591991) is dimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate is COC(=O)C1OC(c2ccccc2O)OC1C(=O)OC.
What is the InChIKey of dimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is CDOOJNPGXCILMV-UHFFFAOYSA-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.
What are the key properties of dimethyl 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
dimethyl 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 2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 71591991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).