4-bromo-6-ethyl-1,3-benzodioxole

C9H9BrO2 — CID 130065754

IUPAC4-bromo-6-ethyl-1,3-benzodioxole
SMILESCCc1cc(Br)c2c(c1)OCO2
InChIInChI=1S/C9H9BrO2/c1-2-6-3-7(10)9-8(4-6)11-5-12-9/h3-4H,2,5H2,1H3
InChIKeyIEEOGUXOWGODJN-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.74
Rot. Bonds1

About 4-bromo-6-ethyl-1,3-benzodioxole

4-bromo-6-ethyl-1,3-benzodioxole (PubChem CID 130065754) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 4-bromo-6-ethyl-1,3-benzodioxole.

Molecular Properties

Compound Name4-bromo-6-ethyl-1,3-benzodioxole
PubChem CID130065754
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name4-bromo-6-ethyl-1,3-benzodioxole
SMILESCCc1cc(Br)c2c(c1)OCO2
InChIInChI=1S/C9H9BrO2/c1-2-6-3-7(10)9-8(4-6)11-5-12-9/h3-4H,2,5H2,1H3
InChIKeyIEEOGUXOWGODJN-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 78917104
(7-bromo-1,3-benzodioxol-5-yl)methanesulfonamide
CID 165443563
2-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1,1,3,3-tetramethylguanidine
CID 111082367
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-3-methylpentan-2-amine
CID 54949952
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]hexan-3-amine
CID 55033069
4-ethenyl-6-ethyl-1,3-benzodioxole
CID 89425863
ethyl 2-amino-3-(7-bromo-1,3-benzodioxol-5-yl)propanoate
CID 62962391
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570670
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-methoxyethanamine
CID 43087464
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720725
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-3-methoxypropan-1-amine
CID 43087480
6-bromo-4-ethyl-1,3-benzodioxol-5-ol
CID 84704791

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-ethyl-1,3-benzodioxole?
The IUPAC name of 4-bromo-6-ethyl-1,3-benzodioxole (CID 130065754) is 4-bromo-6-ethyl-1,3-benzodioxole.
What is the SMILES notation for 4-bromo-6-ethyl-1,3-benzodioxole?
The canonical SMILES for 4-bromo-6-ethyl-1,3-benzodioxole is CCc1cc(Br)c2c(c1)OCO2.
What is the InChIKey of 4-bromo-6-ethyl-1,3-benzodioxole?
The InChIKey is IEEOGUXOWGODJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-2-6-3-7(10)9-8(4-6)11-5-12-9/h3-4H,2,5H2,1H3.
What are the key properties of 4-bromo-6-ethyl-1,3-benzodioxole?
4-bromo-6-ethyl-1,3-benzodioxole has a molecular weight of 229.07 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-ethyl-1,3-benzodioxole is sourced from PubChem (CID 130065754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).