5,7-dibromo-4-methoxy-1,3-benzodioxole

C8H6Br2O3 — CID 23272203

IUPAC5,7-dibromo-4-methoxy-1,3-benzodioxole
SMILESCOc1c(Br)cc(Br)c2c1OCO2
InChIInChI=1S/C8H6Br2O3/c1-11-6-4(9)2-5(10)7-8(6)13-3-12-7/h2H,3H2,1H3
InChIKeyMLADJFBKPAQNHT-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.95
Rot. Bonds1

About 5,7-dibromo-4-methoxy-1,3-benzodioxole

5,7-dibromo-4-methoxy-1,3-benzodioxole (PubChem CID 23272203) has the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol. Its IUPAC name is 5,7-dibromo-4-methoxy-1,3-benzodioxole.

Molecular Properties

Compound Name5,7-dibromo-4-methoxy-1,3-benzodioxole
PubChem CID23272203
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
Exact Mass307.87
IUPAC Name5,7-dibromo-4-methoxy-1,3-benzodioxole
SMILESCOc1c(Br)cc(Br)c2c1OCO2
InChIInChI=1S/C8H6Br2O3/c1-11-6-4(9)2-5(10)7-8(6)13-3-12-7/h2H,3H2,1H3
InChIKeyMLADJFBKPAQNHT-UHFFFAOYSA-N
XLogP2.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-7-chloro-4-methoxy-1,3-benzodioxole
CID 23272201
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117462721
4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride
CID 163333120
1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 117437449
1-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)propan-2-one
CID 117462772
[1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117499180
5-bromo-4-methoxy-[1,3]dioxolo[4,5-h]isoquinoline
CID 10989668
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
1-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)ethanone
CID 84713456
4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 15559838
(20S,28R,70R,78S)-35,41,57,63-tetramethoxy-20,24,28,70,74,78,81,86-octamethyl-3,5,8,10,13,15,31,33,37,39,43,45,48,50,53,55,59,61,65,67-icosaoxanonadecacyclo[67.11.3.317,29.02,51.06,82.07,68.011,30.016,47.019,46.021,42.023,40.025,36.027,34.052,79.056,77.058,75.062,73.064,71.012,85]hexaoctaconta-1(80),2(51),6,11,16(47),17,19(46),21,23(40),25(36),26,29,34,41,52(79),56,58(75),62(73),63,68,71,76,82,84-tetracosaene
CID 100977299

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-4-methoxy-1,3-benzodioxole?
The IUPAC name of 5,7-dibromo-4-methoxy-1,3-benzodioxole (CID 23272203) is 5,7-dibromo-4-methoxy-1,3-benzodioxole.
What is the SMILES notation for 5,7-dibromo-4-methoxy-1,3-benzodioxole?
The canonical SMILES for 5,7-dibromo-4-methoxy-1,3-benzodioxole is COc1c(Br)cc(Br)c2c1OCO2.
What is the InChIKey of 5,7-dibromo-4-methoxy-1,3-benzodioxole?
The InChIKey is MLADJFBKPAQNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3/c1-11-6-4(9)2-5(10)7-8(6)13-3-12-7/h2H,3H2,1H3.
What are the key properties of 5,7-dibromo-4-methoxy-1,3-benzodioxole?
5,7-dibromo-4-methoxy-1,3-benzodioxole has a molecular weight of 309.94 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-4-methoxy-1,3-benzodioxole is sourced from PubChem (CID 23272203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).