1,3-dibromo-5-methoxybenzene

C7H6Br2O — CID 11021812

IUPAC1,3-dibromo-5-methoxybenzene
SMILESCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H6Br2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKeyOQZAQBGJENJMHT-UHFFFAOYSA-N
MW265.93 g/mol
LogP3.22
Rot. Bonds1

About 1,3-dibromo-5-methoxybenzene

1,3-dibromo-5-methoxybenzene (PubChem CID 11021812) has the molecular formula C7H6Br2O and a molecular weight of 265.93 g/mol. Its IUPAC name is 1,3-dibromo-5-methoxybenzene.

Molecular Properties

Compound Name1,3-dibromo-5-methoxybenzene
PubChem CID11021812
Molecular FormulaC7H6Br2O
Molecular Weight265.93 g/mol
Exact Mass263.88
IUPAC Name1,3-dibromo-5-methoxybenzene
SMILESCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H6Br2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKeyOQZAQBGJENJMHT-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.93
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-methoxybenzene?
The IUPAC name of 1,3-dibromo-5-methoxybenzene (CID 11021812) is 1,3-dibromo-5-methoxybenzene.
What is the SMILES notation for 1,3-dibromo-5-methoxybenzene?
The canonical SMILES for 1,3-dibromo-5-methoxybenzene is COc1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-methoxybenzene?
The InChIKey is OQZAQBGJENJMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3.
What are the key properties of 1,3-dibromo-5-methoxybenzene?
1,3-dibromo-5-methoxybenzene has a molecular weight of 265.93 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-methoxybenzene is sourced from PubChem (CID 11021812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).