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6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol

C20H20O5 — CID 102164044

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol
SMILESCc1c(C2(C)Cc3cc4c(cc3CC2O)OCO4)ccc2c1OCO2
InChIInChI=1S/C20H20O5/c1-11-14(3-4-15-19(11)25-10-22-15)20(2)8-13-6-17-16(23-9-24-17)5-12(13)7-18(20)21/h3-6,18,21H,7-10H2,1-2H3
InChIKeyZPLYCAPBDPUTDX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.87
Rot. Bonds1

About 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol

6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol (PubChem CID 102164044) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol.

Molecular Properties

Compound Name6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol
PubChem CID102164044
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol
SMILESCc1c(C2(C)Cc3cc4c(cc3CC2O)OCO4)ccc2c1OCO2
InChIInChI=1S/C20H20O5/c1-11-14(3-4-15-19(11)25-10-22-15)20(2)8-13-6-17-16(23-9-24-17)5-12(13)7-18(20)21/h3-6,18,21H,7-10H2,1-2H3
InChIKeyZPLYCAPBDPUTDX-UHFFFAOYSA-N
XLogP2.87
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol?
The IUPAC name of 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol (CID 102164044) is 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol.
What is the SMILES notation for 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol?
The canonical SMILES for 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol is Cc1c(C2(C)Cc3cc4c(cc3CC2O)OCO4)ccc2c1OCO2.
What is the InChIKey of 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol?
The InChIKey is ZPLYCAPBDPUTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-11-14(3-4-15-19(11)25-10-22-15)20(2)8-13-6-17-16(23-9-24-17)5-12(13)7-18(20)21/h3-6,18,21H,7-10H2,1-2H3.
What are the key properties of 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol?
6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol has a molecular weight of 340.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol is sourced from PubChem (CID 102164044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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