1,2-dibromo-3-methoxy-4-methylbenzene

C8H8Br2O — CID 54359469

IUPAC1,2-dibromo-3-methoxy-4-methylbenzene
SMILESCOc1c(C)ccc(Br)c1Br
InChIInChI=1S/C8H8Br2O/c1-5-3-4-6(9)7(10)8(5)11-2/h3-4H,1-2H3
InChIKeyULMAXYRLIWYMHF-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.53
Rot. Bonds1

About 1,2-dibromo-3-methoxy-4-methylbenzene

1,2-dibromo-3-methoxy-4-methylbenzene (PubChem CID 54359469) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 1,2-dibromo-3-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1,2-dibromo-3-methoxy-4-methylbenzene
PubChem CID54359469
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name1,2-dibromo-3-methoxy-4-methylbenzene
SMILESCOc1c(C)ccc(Br)c1Br
InChIInChI=1S/C8H8Br2O/c1-5-3-4-6(9)7(10)8(5)11-2/h3-4H,1-2H3
InChIKeyULMAXYRLIWYMHF-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-methoxy-4-methylbenzene?
The IUPAC name of 1,2-dibromo-3-methoxy-4-methylbenzene (CID 54359469) is 1,2-dibromo-3-methoxy-4-methylbenzene.
What is the SMILES notation for 1,2-dibromo-3-methoxy-4-methylbenzene?
The canonical SMILES for 1,2-dibromo-3-methoxy-4-methylbenzene is COc1c(C)ccc(Br)c1Br.
What is the InChIKey of 1,2-dibromo-3-methoxy-4-methylbenzene?
The InChIKey is ULMAXYRLIWYMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c1-5-3-4-6(9)7(10)8(5)11-2/h3-4H,1-2H3.
What are the key properties of 1,2-dibromo-3-methoxy-4-methylbenzene?
1,2-dibromo-3-methoxy-4-methylbenzene has a molecular weight of 279.96 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-methoxy-4-methylbenzene is sourced from PubChem (CID 54359469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).