diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate

C20H22O6 — CID 10570359

IUPACdiethyl 2,3-dihydroxy-2,3-diphenylbutanedioate
SMILESCCOC(=O)C(O)(c1ccccc1)C(O)(C(=O)OCC)c1ccccc1
InChIInChI=1S/C20H22O6/c1-3-25-17(21)19(23,15-11-7-5-8-12-15)20(24,18(22)26-4-2)16-13-9-6-10-14-16/h5-14,23-24H,3-4H2,1-2H3
InChIKeyDZFFJXRJCQTVIY-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.89
Rot. Bonds7

About diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate

diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate (PubChem CID 10570359) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate.

Molecular Properties

Compound Namediethyl 2,3-dihydroxy-2,3-diphenylbutanedioate
PubChem CID10570359
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Namediethyl 2,3-dihydroxy-2,3-diphenylbutanedioate
SMILESCCOC(=O)C(O)(c1ccccc1)C(O)(C(=O)OCC)c1ccccc1
InChIInChI=1S/C20H22O6/c1-3-25-17(21)19(23,15-11-7-5-8-12-15)20(24,18(22)26-4-2)16-13-9-6-10-14-16/h5-14,23-24H,3-4H2,1-2H3
InChIKeyDZFFJXRJCQTVIY-UHFFFAOYSA-N
XLogP1.89
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate?
The IUPAC name of diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate (CID 10570359) is diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate.
What is the SMILES notation for diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate?
The canonical SMILES for diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate is CCOC(=O)C(O)(c1ccccc1)C(O)(C(=O)OCC)c1ccccc1.
What is the InChIKey of diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate?
The InChIKey is DZFFJXRJCQTVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-3-25-17(21)19(23,15-11-7-5-8-12-15)20(24,18(22)26-4-2)16-13-9-6-10-14-16/h5-14,23-24H,3-4H2,1-2H3.
What are the key properties of diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate?
diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate has a molecular weight of 358.39 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-dihydroxy-2,3-diphenylbutanedioate is sourced from PubChem (CID 10570359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).