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

C20H20O5 — CID 102164044

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

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

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Related Compounds

6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol
CID 14239500
4,5-dimethyl-1,3-benzodioxole
CID 12958464
6-methylcyclobuta[g][1,3]benzodioxole
CID 19761193
(1S,12R,14S)-13-methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo[12.10.1.01,12.02,10.04,8.015,23.016,20]pentacosa-2,4(8),9,15(23),16(20),21-hexaen-24-ol
CID 100981657
(1S,12S,13S,23R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-12,23-diol
CID 125180753
24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-12,23-diol
CID 3637402
(1R,24S)-24,25-dimethyl-5,7,13,17,19-pentaoxa-25-azaheptacyclo[12.10.1.02,10.04,8.012,24.015,23.016,20]pentacosa-2,4(8),9,15(23),16(20),21-hexaene
CID 177458691
1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84657265
7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 86150963
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;hydrate
CID 6420008
(5R,8'R)-8'-hydroxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
CID 10948569

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).