7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol

C13H16O3 — CID 79725802

IUPAC7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol
SMILESCC1c2cc3c(cc2C(O)C1C)OCCO3
InChIInChI=1S/C13H16O3/c1-7-8(2)13(14)10-6-12-11(5-9(7)10)15-3-4-16-12/h5-8,13-14H,3-4H2,1-2H3
InChIKeyZDXISIYCVYJQGM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.24
Rot. Bonds

About 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol

7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol (PubChem CID 79725802) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol.

Molecular Properties

Compound Name7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol
PubChem CID79725802
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol
SMILESCC1c2cc3c(cc2C(O)C1C)OCCO3
InChIInChI=1S/C13H16O3/c1-7-8(2)13(14)10-6-12-11(5-9(7)10)15-3-4-16-12/h5-8,13-14H,3-4H2,1-2H3
InChIKeyZDXISIYCVYJQGM-UHFFFAOYSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol with MolForge

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Related Compounds

N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
CID 79725403
8,9-dimethyl-N-propyl-2,3,4,7,8,9-hexahydrocyclopenta[h][1,5]benzodioxepin-7-amine
CID 79726877
7,8-dimethyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
CID 113318334
6-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 79726555
2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 123714263
(9S)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinolin-9-ol
CID 977765
3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol
CID 62736373
8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 64686973
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
CID 20661294
N-ethyl-7-methyl-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine
CID 113318325
9-methyl-2,3,4,7,8,9-hexahydrocyclopenta[h][1,5]benzodioxepin-7-amine
CID 63822811
7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 82276010

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol?
The IUPAC name of 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol (CID 79725802) is 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol.
What is the SMILES notation for 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol?
The canonical SMILES for 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol is CC1c2cc3c(cc2C(O)C1C)OCCO3.
What is the InChIKey of 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol?
The InChIKey is ZDXISIYCVYJQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-7-8(2)13(14)10-6-12-11(5-9(7)10)15-3-4-16-12/h5-8,13-14H,3-4H2,1-2H3.
What are the key properties of 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol?
7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol has a molecular weight of 220.27 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol is sourced from PubChem (CID 79725802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).