4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol

C30H36Br2O2 — CID 73063882

About 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol

4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol (PubChem CID 73063882) has the molecular formula C30H36Br2O2 and a molecular weight of 588.42 g/mol. Its IUPAC name is 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol.

Molecular Properties

• Compound Name: 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol
• PubChem CID: 73063882
• Molecular Formula: C30H36Br2O2
• Molecular Weight: 588.42 g/mol
• Exact Mass: 586.11
• IUPAC Name: 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol
• SMILES: Cc1c(Br)cc(C2(C)CCC3CC32C)c(O)c1-c1c(C)c(Br)cc(C2(C)CCC3CC32C)c1O
• InChI: InChI=1S/C30H36Br2O2/c1-15-21(31)11-19(27(3)9-7-17-13-29(17,27)5)25(33)23(15)24-16(2)22(32)12-20(26(24)34)28(4)10-8-18-14-30(18,28)6/h11-12,17-18,33-34H,7-10,13-14H2,1-6H3
• InChIKey: WNXJPDLXUDICTR-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.42
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol?

The IUPAC name of 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol (CID 73063882) is 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol.

What is the SMILES notation for 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol?

The canonical SMILES for 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol is Cc1c(Br)cc(C2(C)CCC3CC32C)c(O)c1-c1c(C)c(Br)cc(C2(C)CCC3CC32C)c1O.

What is the InChIKey of 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol?

The InChIKey is WNXJPDLXUDICTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36Br2O2/c1-15-21(31)11-19(27(3)9-7-17-13-29(17,27)5)25(33)23(15)24-16(2)22(32)12-20(26(24)34)28(4)10-8-18-14-30(18,28)6/h11-12,17-18,33-34H,7-10,13-14H2,1-6H3.

What are the key properties of 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol?

4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol has a molecular weight of 588.42 g/mol, XLogP of 9.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-[5-bromo-3-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-2-hydroxy-6-methylphenyl]-6-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-3-methylphenol is sourced from PubChem (CID 73063882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).