10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol

C20H13NO6 — CID 54413685

IUPAC10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol
SMILESOc1[nH]c(O)c2c(-c3ccc4c(c3)OCO4)c3c4c(ccc3cc12)OCO4
InChIInChI=1S/C20H13NO6/c22-19-11-5-9-2-4-13-18(27-8-25-13)16(9)15(17(11)20(23)21-19)10-1-3-12-14(6-10)26-7-24-12/h1-6,21-23H,7-8H2
InChIKeyVVWWOSXDCYASKP-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.86
Rot. Bonds1

About 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol

10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol (PubChem CID 54413685) has the molecular formula C20H13NO6 and a molecular weight of 363.33 g/mol. Its IUPAC name is 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol.

Molecular Properties

Compound Name10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol
PubChem CID54413685
Molecular FormulaC20H13NO6
Molecular Weight363.33 g/mol
Exact Mass363.07
IUPAC Name10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol
SMILESOc1[nH]c(O)c2c(-c3ccc4c(c3)OCO4)c3c4c(ccc3cc12)OCO4
InChIInChI=1S/C20H13NO6/c22-19-11-5-9-2-4-13-18(27-8-25-13)16(9)15(17(11)20(23)21-19)10-1-3-12-14(6-10)26-7-24-12/h1-6,21-23H,7-8H2
InChIKeyVVWWOSXDCYASKP-UHFFFAOYSA-N
XLogP3.86
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol with MolForge

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Related Compounds

10-(4-fluorophenyl)-6-methyl-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53827216
10-(4-fluorophenyl)-6-methoxy-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53971709
10-(4-fluorophenyl)-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53991064
6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 54337539
10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 54413592
10-(1,3-benzodioxol-5-yl)-6-[2-(dimethylamino)ethyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53654322
10-(1,3-benzodioxol-5-yl)-6-methoxy-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53694454
10-(4-methoxyphenyl)-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53717463
10-(1,3-Benzodioxol-5-yl)-8-methyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53721586
10-(4-bromophenyl)-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53745773
10-(1,3-benzodioxol-5-yl)-3,8-dihydro-2H-[1]benzofuro[7,6-f]isoindol-7-ol
CID 53761301
9-(1,3-benzodioxol-5-yl)-8-methoxy-6-methyl-2H-benzo[f]isoindol-3-ol
CID 53851304

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol?
The IUPAC name of 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol (CID 54413685) is 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol.
What is the SMILES notation for 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol?
The canonical SMILES for 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol is Oc1[nH]c(O)c2c(-c3ccc4c(c3)OCO4)c3c4c(ccc3cc12)OCO4.
What is the InChIKey of 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol?
The InChIKey is VVWWOSXDCYASKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO6/c22-19-11-5-9-2-4-13-18(27-8-25-13)16(9)15(17(11)20(23)21-19)10-1-3-12-14(6-10)26-7-24-12/h1-6,21-23H,7-8H2.
What are the key properties of 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol?
10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol has a molecular weight of 363.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol is sourced from PubChem (CID 54413685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).