3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol

C142H138Br38O36 — CID 159497405

About 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol

3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol (PubChem CID 159497405) has the molecular formula C142H138Br38O36 and a molecular weight of 5456.98 g/mol. Its IUPAC name is 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol.

Molecular Properties

• Compound Name: 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol
• PubChem CID: 159497405
• Molecular Formula: C142H138Br38O36
• Molecular Weight: 5456.98 g/mol
• Exact Mass: 5417.79
• IUPAC Name: 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol
• SMILES: Cc1c(Br)c(O)c(Br)c(O)c1Br.Cc1c(Br)c(O)c(O)c(Br)c1Br.Cc1c(C)c(Br)c(Br)c(O)c1O.Cc1c(C)c(Br)c(C)c(O)c1O.Cc1c(C)c(Br)c(O)c(Br)c1O.Cc1c(C)c(Br)c(O)c(O)c1Br.Cc1c(C)c(C)c(O)c(O)c1C.Cc1c(C)c(O)c(O)c(Br)c1C.Cc1c(O)c(Br)c(Br)c(Br)c1O.Cc1c(O)c(Br)c(C)c(Br)c1O.Cc1c(O)c(Br)c(O)c(Br)c1Br.Cc1c(O)c(Br)c(O)c(Br)c1Br.Cc1c(O)c(Br)c(O)c(C)c1Br.Cc1c(O)c(C)c(Br)c(Br)c1O.Cc1c(O)c(C)c(Br)c(Br)c1O.Cc1c(O)c(O)c(Br)c(Br)c1Br.Cc1c(O)c(O)c(Br)c(C)c1Br.Cc1c(O)c(O)c(C)c(Br)c1Br
• InChI: InChI=1S/C10H14O2.2C9H11BrO2.9C8H8Br2O2.6C7H5Br3O2/c1-5-6(2)8(4)10(12)9(11)7(5)3;1-4-5(2)8(11)9(12)6(3)7(4)10;1-4-5(2)7(10)9(12)8(11)6(4)3;2*1-3-5(9)6(10)8(12)4(2)7(3)11;1-3-5(9)6(10)4(2)8(12)7(3)11;1-3-5(9)7(11)4(2)8(12)6(3)10;1-3-5(9)4(2)8(12)6(10)7(3)11;1-3-5(9)4(2)7(11)8(12)6(3)10;1-3-4(2)7(11)6(10)8(12)5(3)9;1-3-4(2)7(11)8(12)6(10)5(3)9;1-3-4(2)6(10)8(12)7(11)5(3)9;1-2-6(11)4(9)3(8)5(10)7(2)12;2*1-2-3(8)4(9)7(12)5(10)6(2)11;1-2-3(8)4(9)5(10)7(12)6(2)11;1-2-3(8)6(11)5(10)7(12)4(2)9;1-2-3(8)5(10)7(12)6(11)4(2)9/h11-12H,1-4H3;2*11-12H,1-3H3;9*11-12H,1-2H3;6*11-12H,1H3
• InChIKey: LYYLWOMCTJKTCQ-UHFFFAOYSA-N
• XLogP: 59.22
• TPSA: 728.28 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 36
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5456.98
LogP ≤ 5	59.22
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol?

The IUPAC name of 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol (CID 159497405) is 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol.

What is the SMILES notation for 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol?

The canonical SMILES for 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol is Cc1c(Br)c(O)c(Br)c(O)c1Br.Cc1c(Br)c(O)c(O)c(Br)c1Br.Cc1c(C)c(Br)c(Br)c(O)c1O.Cc1c(C)c(Br)c(C)c(O)c1O.Cc1c(C)c(Br)c(O)c(Br)c1O.Cc1c(C)c(Br)c(O)c(O)c1Br.Cc1c(C)c(C)c(O)c(O)c1C.Cc1c(C)c(O)c(O)c(Br)c1C.Cc1c(O)c(Br)c(Br)c(Br)c1O.Cc1c(O)c(Br)c(C)c(Br)c1O.Cc1c(O)c(Br)c(O)c(Br)c1Br.Cc1c(O)c(Br)c(O)c(Br)c1Br.Cc1c(O)c(Br)c(O)c(C)c1Br.Cc1c(O)c(C)c(Br)c(Br)c1O.Cc1c(O)c(C)c(Br)c(Br)c1O.Cc1c(O)c(O)c(Br)c(Br)c1Br.Cc1c(O)c(O)c(Br)c(C)c1Br.Cc1c(O)c(O)c(C)c(Br)c1Br.

What is the InChIKey of 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol?

The InChIKey is LYYLWOMCTJKTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.2C9H11BrO2.9C8H8Br2O2.6C7H5Br3O2/c1-5-6(2)8(4)10(12)9(11)7(5)3;1-4-5(2)8(11)9(12)6(3)7(4)10;1-4-5(2)7(10)9(12)8(11)6(4)3;2*1-3-5(9)6(10)8(12)4(2)7(3)11;1-3-5(9)6(10)4(2)8(12)7(3)11;1-3-5(9)7(11)4(2)8(12)6(3)10;1-3-5(9)4(2)8(12)6(10)7(3)11;1-3-5(9)4(2)7(11)8(12)6(3)10;1-3-4(2)7(11)6(10)8(12)5(3)9;1-3-4(2)7(11)8(12)6(10)5(3)9;1-3-4(2)6(10)8(12)7(11)5(3)9;1-2-6(11)4(9)3(8)5(10)7(2)12;2*1-2-3(8)4(9)7(12)5(10)6(2)11;1-2-3(8)4(9)5(10)7(12)6(2)11;1-2-3(8)6(11)5(10)7(12)4(2)9;1-2-3(8)5(10)7(12)6(11)4(2)9/h11-12H,1-4H3;2*11-12H,1-3H3;9*11-12H,1-2H3;6*11-12H,1H3.

What are the key properties of 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol?

3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol has a molecular weight of 5456.98 g/mol, XLogP of 59.22, 0 rotatable bonds, 36 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol is sourced from PubChem (CID 159497405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).