5-bromo-7-chloro-4-methoxy-1,3-benzodioxole

C8H6BrClO3 — CID 23272201

IUPAC5-bromo-7-chloro-4-methoxy-1,3-benzodioxole
SMILESCOc1c(Br)cc(Cl)c2c1OCO2
InChIInChI=1S/C8H6BrClO3/c1-11-6-4(9)2-5(10)7-8(6)13-3-12-7/h2H,3H2,1H3
InChIKeyRELHLFFELUFJJL-UHFFFAOYSA-N
MW265.49 g/mol
LogP2.84
Rot. Bonds1

About 5-bromo-7-chloro-4-methoxy-1,3-benzodioxole

5-bromo-7-chloro-4-methoxy-1,3-benzodioxole (PubChem CID 23272201) has the molecular formula C8H6BrClO3 and a molecular weight of 265.49 g/mol. Its IUPAC name is 5-bromo-7-chloro-4-methoxy-1,3-benzodioxole.

Molecular Properties

Compound Name5-bromo-7-chloro-4-methoxy-1,3-benzodioxole
PubChem CID23272201
Molecular FormulaC8H6BrClO3
Molecular Weight265.49 g/mol
Exact Mass263.92
IUPAC Name5-bromo-7-chloro-4-methoxy-1,3-benzodioxole
SMILESCOc1c(Br)cc(Cl)c2c1OCO2
InChIInChI=1S/C8H6BrClO3/c1-11-6-4(9)2-5(10)7-8(6)13-3-12-7/h2H,3H2,1H3
InChIKeyRELHLFFELUFJJL-UHFFFAOYSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dibromo-4-methoxy-1,3-benzodioxole
CID 23272203
7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran
CID 118991708
1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine
CID 168512911
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117462721
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 117491804
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride
CID 163333120
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene
CID 155162644
3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
CID 13202164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-4-methoxy-1,3-benzodioxole?
The IUPAC name of 5-bromo-7-chloro-4-methoxy-1,3-benzodioxole (CID 23272201) is 5-bromo-7-chloro-4-methoxy-1,3-benzodioxole.
What is the SMILES notation for 5-bromo-7-chloro-4-methoxy-1,3-benzodioxole?
The canonical SMILES for 5-bromo-7-chloro-4-methoxy-1,3-benzodioxole is COc1c(Br)cc(Cl)c2c1OCO2.
What is the InChIKey of 5-bromo-7-chloro-4-methoxy-1,3-benzodioxole?
The InChIKey is RELHLFFELUFJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO3/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-bromo-7-chloro-4-methoxy-1,3-benzodioxole?
5-bromo-7-chloro-4-methoxy-1,3-benzodioxole has a molecular weight of 265.49 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-4-methoxy-1,3-benzodioxole is sourced from PubChem (CID 23272201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).