sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide

C87H86N3NaO28 — CID 158392267

About sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide

sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide (PubChem CID 158392267) has the molecular formula C87H86N3NaO28 and a molecular weight of 1644.63 g/mol. Its IUPAC name is sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide.

Molecular Properties

• Compound Name: sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide
• PubChem CID: 158392267
• Molecular Formula: C87H86N3NaO28
• Molecular Weight: 1644.63 g/mol
• Exact Mass: 1643.53
• IUPAC Name: sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide
• SMILES: CC(C)=O.CC(C)=O.COc1ccc2c(c1)OCCO2.COc1ccc2c(c1)OCO2.COc1ccc2c(c1C=O)OCCO2.COc1ccc2c(c1C=O)OCO2.COc1ccc2cccnc2c1C=O.O=Cc1c(O)ccc2cccnc12.Oc1ccc2c(c1)OCCO2.Oc1ccc2c(c1)OCO2.Oc1ccc2cccnc2c1.[Na+].[OH-]
• InChI: InChI=1S/C11H9NO2.C10H7NO2.C10H10O4.C9H7NO.C9H8O4.C9H10O3.2C8H8O3.C7H6O3.2C3H6O.Na.H2O/c1-14-10-5-4-8-3-2-6-12-11(8)9(10)7-13;12-6-8-9(13)4-3-7-2-1-5-11-10(7)8;1-12-8-2-3-9-10(7(8)6-11)14-5-4-13-9;11-8-4-3-7-2-1-5-10-9(7)6-8;1-11-7-2-3-8-9(6(7)4-10)13-5-12-8;1-10-7-2-3-8-9(6-7)12-5-4-11-8;1-9-6-2-3-7-8(4-6)11-5-10-7;9-6-1-2-7-8(5-6)11-4-3-10-7;8-5-1-2-6-7(3-5)10-4-9-6;2*1-3(2)4;;/h2-7H,1H3;1-6,13H;2-3,6H,4-5H2,1H3;1-6,11H;2-4H,5H2,1H3;2-3,6H,4-5H2,1H3;2-4H,5H2,1H3;1-2,5,9H,3-4H2;1-3,8H,4H2;2*1-2H3;;1H2/q;;;;;;;;;;;+1;/p-1
• InChIKey: GXCLFHCBQYIJPB-UHFFFAOYSA-M
• XLogP: 11.46
• TPSA: 408.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 9
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.63
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide?

The IUPAC name of sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide (CID 158392267) is sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide.

What is the SMILES notation for sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide?

The canonical SMILES for sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide is CC(C)=O.CC(C)=O.COc1ccc2c(c1)OCCO2.COc1ccc2c(c1)OCO2.COc1ccc2c(c1C=O)OCCO2.COc1ccc2c(c1C=O)OCO2.COc1ccc2cccnc2c1C=O.O=Cc1c(O)ccc2cccnc12.Oc1ccc2c(c1)OCCO2.Oc1ccc2c(c1)OCO2.Oc1ccc2cccnc2c1.[Na+].[OH-].

What is the InChIKey of sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide?

The InChIKey is GXCLFHCBQYIJPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO2.C10H7NO2.C10H10O4.C9H7NO.C9H8O4.C9H10O3.2C8H8O3.C7H6O3.2C3H6O.Na.H2O/c1-14-10-5-4-8-3-2-6-12-11(8)9(10)7-13;12-6-8-9(13)4-3-7-2-1-5-11-10(7)8;1-12-8-2-3-9-10(7(8)6-11)14-5-4-13-9;11-8-4-3-7-2-1-5-10-9(7)6-8;1-11-7-2-3-8-9(6(7)4-10)13-5-12-8;1-10-7-2-3-8-9(6-7)12-5-4-11-8;1-9-6-2-3-7-8(4-6)11-5-10-7;9-6-1-2-7-8(5-6)11-4-3-10-7;8-5-1-2-6-7(3-5)10-4-9-6;2*1-3(2)4;;/h2-7H,1H3;1-6,13H;2-3,6H,4-5H2,1H3;1-6,11H;2-4H,5H2,1H3;2-3,6H,4-5H2,1H3;2-4H,5H2,1H3;1-2,5,9H,3-4H2;1-3,8H,4H2;2*1-2H3;;1H2/q;;;;;;;;;;;+1;/p-1.

What are the key properties of sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide?

sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide has a molecular weight of 1644.63 g/mol, XLogP of 11.46, 9 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1,3-benzodioxol-5-ol;2,3-dihydro-1,4-benzodioxin-6-ol;7-hydroxyquinoline-8-carbaldehyde;5-methoxy-1,3-benzodioxole;5-methoxy-1,3-benzodioxole-4-carbaldehyde;6-methoxy-2,3-dihydro-1,4-benzodioxine;6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;7-methoxyquinoline-8-carbaldehyde;bis(propan-2-one);quinolin-7-ol;hydroxide is sourced from PubChem (CID 158392267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).