8-bromo-2,2-dimethyl-4H-1,3-benzodioxine

C10H11BrO2 — CID 11492460

IUPAC8-bromo-2,2-dimethyl-4H-1,3-benzodioxine
SMILESCC1(C)OCc2cccc(Br)c2O1
InChIInChI=1S/C10H11BrO2/c1-10(2)12-6-7-4-3-5-8(11)9(7)13-10/h3-5H,6H2,1-2H3
InChIKeyUOHNNAOIKXQJCE-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.09
Rot. Bonds

About 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine

8-bromo-2,2-dimethyl-4H-1,3-benzodioxine (PubChem CID 11492460) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine.

Molecular Properties

Compound Name8-bromo-2,2-dimethyl-4H-1,3-benzodioxine
PubChem CID11492460
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name8-bromo-2,2-dimethyl-4H-1,3-benzodioxine
SMILESCC1(C)OCc2cccc(Br)c2O1
InChIInChI=1S/C10H11BrO2/c1-10(2)12-6-7-4-3-5-8(11)9(7)13-10/h3-5H,6H2,1-2H3
InChIKeyUOHNNAOIKXQJCE-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine?
The IUPAC name of 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine (CID 11492460) is 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine.
What is the SMILES notation for 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine?
The canonical SMILES for 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine is CC1(C)OCc2cccc(Br)c2O1.
What is the InChIKey of 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine?
The InChIKey is UOHNNAOIKXQJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-10(2)12-6-7-4-3-5-8(11)9(7)13-10/h3-5H,6H2,1-2H3.
What are the key properties of 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine?
8-bromo-2,2-dimethyl-4H-1,3-benzodioxine has a molecular weight of 243.10 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,2-dimethyl-4H-1,3-benzodioxine is sourced from PubChem (CID 11492460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).