5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole

C10H11BrO4 — CID 11054906

IUPAC5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole
SMILESCOC(OC)c1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H11BrO4/c1-12-10(13-2)6-3-8-9(4-7(6)11)15-5-14-8/h3-4,10H,5H2,1-2H3
InChIKeyWQUCNWOIPGCTCL-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.47
Rot. Bonds3

About 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole

5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole (PubChem CID 11054906) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole
PubChem CID11054906
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole
SMILESCOC(OC)c1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H11BrO4/c1-12-10(13-2)6-3-8-9(4-7(6)11)15-5-14-8/h3-4,10H,5H2,1-2H3
InChIKeyWQUCNWOIPGCTCL-UHFFFAOYSA-N
XLogP2.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(6-bromo-1,3-benzodioxol-5-yl)propanoate
CID 105426519
methyl 3-(6-bromo-1,3-benzodioxol-5-yl)-2,3-dihydroxypropanoate
CID 171865363
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)butan-1-amine;hydrochloride
CID 171213180
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213193
(6-bromo-1,3-benzodioxol-5-yl)-cyclopropylmethanamine
CID 3979653
(1S)-1-(6-bromo-1,3-benzodioxol-5-yl)prop-2-en-1-ol
CID 130699884
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 131174604
2-(6-bromo-1,3-benzodioxol-5-yl)-2-hydroxyacetic acid
CID 117439384
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)hexan-1-amine
CID 171213184
(1S,2R)-1-amino-1-(6-bromo-1,3-benzodioxol-5-yl)-3-methylbutan-2-ol;hydrochloride
CID 171270624
6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine
CID 61096359
1-(6-bromo-1,3-benzodioxol-5-yl)propane-1,2,3-triol
CID 170819130

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole?
The IUPAC name of 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole (CID 11054906) is 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole.
What is the SMILES notation for 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole?
The canonical SMILES for 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole is COC(OC)c1cc2c(cc1Br)OCO2.
What is the InChIKey of 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole?
The InChIKey is WQUCNWOIPGCTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-12-10(13-2)6-3-8-9(4-7(6)11)15-5-14-8/h3-4,10H,5H2,1-2H3.
What are the key properties of 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole?
5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole has a molecular weight of 275.10 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole is sourced from PubChem (CID 11054906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).