4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol

C14H10O6 — CID 58219553

IUPAC4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol
SMILESOc1ccc2c(c1-c1c(O)ccc3c1OCO3)OCO2
InChIInChI=1S/C14H10O6/c15-7-1-3-9-13(19-5-17-9)11(7)12-8(16)2-4-10-14(12)20-6-18-10/h1-4,15-16H,5-6H2
InChIKeyFEIJYRFLOJAPNF-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.22
Rot. Bonds1

About 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol

4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol (PubChem CID 58219553) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol
PubChem CID58219553
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol
SMILESOc1ccc2c(c1-c1c(O)ccc3c1OCO3)OCO2
InChIInChI=1S/C14H10O6/c15-7-1-3-9-13(19-5-17-9)11(7)12-8(16)2-4-10-14(12)20-6-18-10/h1-4,15-16H,5-6H2
InChIKeyFEIJYRFLOJAPNF-UHFFFAOYSA-N
XLogP2.22
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol?
The IUPAC name of 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol (CID 58219553) is 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol.
What is the SMILES notation for 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol?
The canonical SMILES for 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol is Oc1ccc2c(c1-c1c(O)ccc3c1OCO3)OCO2.
What is the InChIKey of 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol?
The InChIKey is FEIJYRFLOJAPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c15-7-1-3-9-13(19-5-17-9)11(7)12-8(16)2-4-10-14(12)20-6-18-10/h1-4,15-16H,5-6H2.
What are the key properties of 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol?
4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol has a molecular weight of 274.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol is sourced from PubChem (CID 58219553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).