1,3,5-tribromo-2-methoxybenzene

C7H5Br3O — CID 11839

IUPAC1,3,5-tribromo-2-methoxybenzene
SMILESCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyYXTRCOAFNXQTKL-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.98
Rot. Bonds1

About 1,3,5-tribromo-2-methoxybenzene

1,3,5-tribromo-2-methoxybenzene (PubChem CID 11839) has the molecular formula C7H5Br3O and a molecular weight of 344.83 g/mol. Its IUPAC name is 1,3,5-tribromo-2-methoxybenzene.

Molecular Properties

Compound Name1,3,5-tribromo-2-methoxybenzene
PubChem CID11839
Molecular FormulaC7H5Br3O
Molecular Weight344.83 g/mol
Exact Mass341.79
IUPAC Name1,3,5-tribromo-2-methoxybenzene
SMILESCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyYXTRCOAFNXQTKL-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2-methoxybenzene?
The IUPAC name of 1,3,5-tribromo-2-methoxybenzene (CID 11839) is 1,3,5-tribromo-2-methoxybenzene.
What is the SMILES notation for 1,3,5-tribromo-2-methoxybenzene?
The canonical SMILES for 1,3,5-tribromo-2-methoxybenzene is COc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 1,3,5-tribromo-2-methoxybenzene?
The InChIKey is YXTRCOAFNXQTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3.
What are the key properties of 1,3,5-tribromo-2-methoxybenzene?
1,3,5-tribromo-2-methoxybenzene has a molecular weight of 344.83 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromo-2-methoxybenzene is sourced from PubChem (CID 11839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).