[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol

C18H10O9 — CID 10429214

IUPAC[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol
SMILESOc1cc(O)c2oc3cc(O)c4oc5cc(O)cc(O)c5oc4c3oc2c1
InChIInChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H
InChIKeyLBHQACSAGWCMAB-UHFFFAOYSA-N
MW370.27 g/mol
LogP4.32
Rot. Bonds

About [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol

[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol (PubChem CID 10429214) has the molecular formula C18H10O9 and a molecular weight of 370.27 g/mol. Its IUPAC name is [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol.

Molecular Properties

Compound Name[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol
PubChem CID10429214
Molecular FormulaC18H10O9
Molecular Weight370.27 g/mol
Exact Mass370.03
IUPAC Name[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol
SMILESOc1cc(O)c2oc3cc(O)c4oc5cc(O)cc(O)c5oc4c3oc2c1
InChIInChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H
InChIKeyLBHQACSAGWCMAB-UHFFFAOYSA-N
XLogP4.32
TPSA153.71 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 54.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol?
The IUPAC name of [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol (CID 10429214) is [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol.
What is the SMILES notation for [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol?
The canonical SMILES for [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol is Oc1cc(O)c2oc3cc(O)c4oc5cc(O)cc(O)c5oc4c3oc2c1.
What is the InChIKey of [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol?
The InChIKey is LBHQACSAGWCMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H.
What are the key properties of [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol?
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol has a molecular weight of 370.27 g/mol, XLogP of 4.32, 0 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol is sourced from PubChem (CID 10429214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).