bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone

C91H61Br9O41 — CID 162178504

About bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone

bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone (PubChem CID 162178504) has the molecular formula C91H61Br9O41 and a molecular weight of 2529.58 g/mol. Its IUPAC name is bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone.

Molecular Properties

• Compound Name: bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
• PubChem CID: 162178504
• Molecular Formula: C91H61Br9O41
• Molecular Weight: 2529.58 g/mol
• Exact Mass: 2519.53
• IUPAC Name: bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
• SMILES: O=C(c1cc(O)c(O)c(Br)c1Br)c1c(Br)c(O)c(O)c(O)c1Br.O=C(c1cc(O)c(O)c(O)c1)c1cc(O)c(O)cc1O.O=C(c1cc(O)c(O)cc1Br)c1cc(O)c(O)cc1Br.O=C(c1ccc(O)c(O)c1)c1c(Br)c(O)c(O)c(O)c1Br.O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1.O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1Br.O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1O
• InChI: InChI=1S/C13H6Br4O6.C13H8Br2O6.C13H8Br2O5.C13H9BrO5.C13H10O7.2C13H10O6/c14-5-2(1-3(18)10(20)8(5)17)9(19)4-6(15)11(21)13(23)12(22)7(4)16;14-8-7(9(15)12(20)13(21)11(8)19)10(18)4-1-2-5(16)6(17)3-4;14-7-3-11(18)9(16)1-5(7)13(20)6-2-10(17)12(19)4-8(6)15;14-8-5-12(18)11(17)4-7(8)13(19)6-1-2-9(15)10(16)3-6;14-7-4-9(16)8(15)3-6(7)12(19)5-1-10(17)13(20)11(18)2-5;14-8-2-1-6(3-10(8)16)13(19)7-4-11(17)12(18)5-9(7)15;14-8-2-1-6(3-9(8)15)12(18)7-4-10(16)13(19)11(17)5-7/h1,18,20-23H;1-3,16-17,19-21H;1-4,16-19H;1-5,15-18H;1-4,14-18,20H;1-5,14-18H;1-5,14-17,19H
• InChIKey: ZOSBUBXXAVWWDZ-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 807.31 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 41
• Rotatable Bonds: 14
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2529.58
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?

The IUPAC name of bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone (CID 162178504) is bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone.

What is the SMILES notation for bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?

The canonical SMILES for bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is O=C(c1cc(O)c(O)c(Br)c1Br)c1c(Br)c(O)c(O)c(O)c1Br.O=C(c1cc(O)c(O)c(O)c1)c1cc(O)c(O)cc1O.O=C(c1cc(O)c(O)cc1Br)c1cc(O)c(O)cc1Br.O=C(c1ccc(O)c(O)c1)c1c(Br)c(O)c(O)c(O)c1Br.O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1.O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1Br.O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1O.

What is the InChIKey of bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?

The InChIKey is ZOSBUBXXAVWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br4O6.C13H8Br2O6.C13H8Br2O5.C13H9BrO5.C13H10O7.2C13H10O6/c14-5-2(1-3(18)10(20)8(5)17)9(19)4-6(15)11(21)13(23)12(22)7(4)16;14-8-7(9(15)12(20)13(21)11(8)19)10(18)4-1-2-5(16)6(17)3-4;14-7-3-11(18)9(16)1-5(7)13(20)6-2-10(17)12(19)4-8(6)15;14-8-5-12(18)11(17)4-7(8)13(19)6-1-2-9(15)10(16)3-6;14-7-4-9(16)8(15)3-6(7)12(19)5-1-10(17)13(20)11(18)2-5;14-8-2-1-6(3-10(8)16)13(19)7-4-11(17)12(18)5-9(7)15;14-8-2-1-6(3-9(8)15)12(18)7-4-10(16)13(19)11(17)5-7/h1,18,20-23H;1-3,16-17,19-21H;1-4,16-19H;1-5,15-18H;1-4,14-18,20H;1-5,14-18H;1-5,14-17,19H.

What are the key properties of bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?

bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone has a molecular weight of 2529.58 g/mol, XLogP of 17.28, 14 rotatable bonds, 34 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-bromo-4,5-dihydroxyphenyl)methanone;(2-bromo-4,5-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(2,3-dibromo-4,5-dihydroxyphenyl)-(2,6-dibromo-3,4,5-trihydroxyphenyl)methanone;(2,6-dibromo-3,4,5-trihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is sourced from PubChem (CID 162178504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).