6,8-dimethyl-4H-1,3-benzodioxine

C10H12O2 — CID 89017859

IUPAC6,8-dimethyl-4H-1,3-benzodioxine
SMILESCc1cc(C)c2c(c1)COCO2
InChIInChI=1S/C10H12O2/c1-7-3-8(2)10-9(4-7)5-11-6-12-10/h3-4H,5-6H2,1-2H3
InChIKeyOBUYZLQHMZCNEQ-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.17
Rot. Bonds

About 6,8-dimethyl-4H-1,3-benzodioxine

6,8-dimethyl-4H-1,3-benzodioxine (PubChem CID 89017859) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6,8-dimethyl-4H-1,3-benzodioxine.

Molecular Properties

Compound Name6,8-dimethyl-4H-1,3-benzodioxine
PubChem CID89017859
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name6,8-dimethyl-4H-1,3-benzodioxine
SMILESCc1cc(C)c2c(c1)COCO2
InChIInChI=1S/C10H12O2/c1-7-3-8(2)10-9(4-7)5-11-6-12-10/h3-4H,5-6H2,1-2H3
InChIKeyOBUYZLQHMZCNEQ-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanone
CID 83877982
N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83883221
2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
CID 83884323
8-bromo-6-chloro-4H-1,3-benzodioxine
CID 14520335
2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine
CID 83880036
6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
CID 67416939
1-(8-bromo-4H-1,3-benzodioxin-6-yl)ethanone
CID 83901380
5,6-dimethyl-1,3-dihydro-2-benzofuran
CID 59964418
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine
CID 83903752
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2,3-dimethylpyridin-1-ium
CID 8828164

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4H-1,3-benzodioxine?
The IUPAC name of 6,8-dimethyl-4H-1,3-benzodioxine (CID 89017859) is 6,8-dimethyl-4H-1,3-benzodioxine.
What is the SMILES notation for 6,8-dimethyl-4H-1,3-benzodioxine?
The canonical SMILES for 6,8-dimethyl-4H-1,3-benzodioxine is Cc1cc(C)c2c(c1)COCO2.
What is the InChIKey of 6,8-dimethyl-4H-1,3-benzodioxine?
The InChIKey is OBUYZLQHMZCNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-3-8(2)10-9(4-7)5-11-6-12-10/h3-4H,5-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-4H-1,3-benzodioxine?
6,8-dimethyl-4H-1,3-benzodioxine has a molecular weight of 164.20 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4H-1,3-benzodioxine is sourced from PubChem (CID 89017859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).