2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine

C11H13BrO2 — CID 20522114

IUPAC2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccc2c(c1)OCC(CCBr)O2
InChIInChI=1S/C11H13BrO2/c1-8-2-3-10-11(6-8)13-7-9(14-10)4-5-12/h2-3,6,9H,4-5,7H2,1H3
InChIKeyAMDRHHNGRVGINH-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.92
Rot. Bonds2

About 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine

2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 20522114) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine
PubChem CID20522114
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccc2c(c1)OCC(CCBr)O2
InChIInChI=1S/C11H13BrO2/c1-8-2-3-10-11(6-8)13-7-9(14-10)4-5-12/h2-3,6,9H,4-5,7H2,1H3
InChIKeyAMDRHHNGRVGINH-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromobutyl)-2,3-dihydro-1,4-benzodioxine
CID 70485741
6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
CID 123581940
(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 134174574
7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 16723715
5-methyl-1,3-benzodioxole
CID 142082223
2-methyl-1-(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)butan-1-one
CID 166897939
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
6-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013062
(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 82527392
3-(bromomethyl)-6-methoxy-2,3-dihydro-1,4-benzodioxine
CID 10658909
3-(bromomethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 90273101
N'-(2-bromo-4-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxamide
CID 108532544

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine (CID 20522114) is 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine is Cc1ccc2c(c1)OCC(CCBr)O2.
What is the InChIKey of 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is AMDRHHNGRVGINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-8-2-3-10-11(6-8)13-7-9(14-10)4-5-12/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine?
2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 257.13 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 20522114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).