1,4-dibromo-2,3-dimethoxybenzene

C8H8Br2O2 — CID 15784959

IUPAC1,4-dibromo-2,3-dimethoxybenzene
SMILESCOc1c(Br)ccc(Br)c1OC
InChIInChI=1S/C8H8Br2O2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3
InChIKeyQHHTUAGFGZHPNI-UHFFFAOYSA-N
MW295.96 g/mol
LogP3.23
Rot. Bonds2

About 1,4-dibromo-2,3-dimethoxybenzene

1,4-dibromo-2,3-dimethoxybenzene (PubChem CID 15784959) has the molecular formula C8H8Br2O2 and a molecular weight of 295.96 g/mol. Its IUPAC name is 1,4-dibromo-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1,4-dibromo-2,3-dimethoxybenzene
PubChem CID15784959
Molecular FormulaC8H8Br2O2
Molecular Weight295.96 g/mol
Exact Mass293.89
IUPAC Name1,4-dibromo-2,3-dimethoxybenzene
SMILESCOc1c(Br)ccc(Br)c1OC
InChIInChI=1S/C8H8Br2O2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3
InChIKeyQHHTUAGFGZHPNI-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
3,6-dibromo-2-methoxybenzenethiol
CID 171002224
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
3-bromo-2-methoxy-6-methylaniline
CID 84723819
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
CID 155293778
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117441818
1,2-dibromo-3-methoxy-4-methylbenzene
CID 54359469
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,3-dimethoxybenzene?
The IUPAC name of 1,4-dibromo-2,3-dimethoxybenzene (CID 15784959) is 1,4-dibromo-2,3-dimethoxybenzene.
What is the SMILES notation for 1,4-dibromo-2,3-dimethoxybenzene?
The canonical SMILES for 1,4-dibromo-2,3-dimethoxybenzene is COc1c(Br)ccc(Br)c1OC.
What is the InChIKey of 1,4-dibromo-2,3-dimethoxybenzene?
The InChIKey is QHHTUAGFGZHPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3.
What are the key properties of 1,4-dibromo-2,3-dimethoxybenzene?
1,4-dibromo-2,3-dimethoxybenzene has a molecular weight of 295.96 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,3-dimethoxybenzene is sourced from PubChem (CID 15784959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).