9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol

C20H20O6 — CID 162892739

IUPAC9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol
SMILESCC1C(O)c2ccc3c(c2C(O)(c2ccc4c(c2)OCO4)C1C)OCO3
InChIInChI=1S/C20H20O6/c1-10-11(2)20(22,12-3-5-14-16(7-12)25-8-23-14)17-13(18(10)21)4-6-15-19(17)26-9-24-15/h3-7,10-11,18,21-22H,8-9H2,1-2H3
InChIKeyZINGKVZTZNKXIN-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.70
Rot. Bonds1

About 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol

9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol (PubChem CID 162892739) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol.

Molecular Properties

Compound Name9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol
PubChem CID162892739
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol
SMILESCC1C(O)c2ccc3c(c2C(O)(c2ccc4c(c2)OCO4)C1C)OCO3
InChIInChI=1S/C20H20O6/c1-10-11(2)20(22,12-3-5-14-16(7-12)25-8-23-14)17-13(18(10)21)4-6-15-19(17)26-9-24-15/h3-7,10-11,18,21-22H,8-9H2,1-2H3
InChIKeyZINGKVZTZNKXIN-UHFFFAOYSA-N
XLogP2.70
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol with MolForge

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Related Compounds

(7R,8S,9R)-9-(1,3-benzodioxol-5-yl)-4-methoxy-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxol-9-ol
CID 163185674
3-(1,3-benzodioxol-5-yl)oxetan-3-ol
CID 75406892
6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol
CID 68555017
3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171960077
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
(1S,5S)-3-(1,3-benzodioxol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113270
1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol
CID 10398467
(6R,8R,9R)-9-(1,3-benzodioxol-5-yl)-6,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
CID 163103448
(6S,8R,9R)-9-(1,3-benzodioxol-5-yl)-6,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
CID 157276109
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842630
(3R,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyloxolan-2-one
CID 101087163
6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
CID 24837686

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol?
The IUPAC name of 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol (CID 162892739) is 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol.
What is the SMILES notation for 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol?
The canonical SMILES for 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol is CC1C(O)c2ccc3c(c2C(O)(c2ccc4c(c2)OCO4)C1C)OCO3.
What is the InChIKey of 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol?
The InChIKey is ZINGKVZTZNKXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-10-11(2)20(22,12-3-5-14-16(7-12)25-8-23-14)17-13(18(10)21)4-6-15-19(17)26-9-24-15/h3-7,10-11,18,21-22H,8-9H2,1-2H3.
What are the key properties of 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol?
9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol has a molecular weight of 356.37 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol is sourced from PubChem (CID 162892739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).