2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane

C50H64Br8O6 — CID 143165148

About 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane

2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane (PubChem CID 143165148) has the molecular formula C50H64Br8O6 and a molecular weight of 1400.29 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane.

Molecular Properties

• Compound Name: 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane
• PubChem CID: 143165148
• Molecular Formula: C50H64Br8O6
• Molecular Weight: 1400.29 g/mol
• Exact Mass: 1391.82
• IUPAC Name: 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane
• SMILES: CC.CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OCCC2CO2)c(Br)c1.CCC(C)CC1CO1.CCC(C)CCCOc1c(Br)cc(C(C)(C)c2cc(Br)c(O)c(Br)c2)cc1Br
• InChI: InChI=1S/C22H26Br4O2.C19H18Br4O3.C7H14O.C2H6/c1-5-13(2)7-6-8-28-21-18(25)11-15(12-19(21)26)22(3,4)14-9-16(23)20(27)17(24)10-14;1-19(2,10-5-13(20)17(24)14(21)6-10)11-7-15(22)18(16(23)8-11)25-4-3-12-9-26-12;1-3-6(2)4-7-5-8-7;1-2/h9-13,27H,5-8H2,1-4H3;5-8,12,24H,3-4,9H2,1-2H3;6-7H,3-5H2,1-2H3;1-2H3
• InChIKey: WUPRCQQAWBHJGS-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1400.29
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane?

The IUPAC name of 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane (CID 143165148) is 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane.

What is the SMILES notation for 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane?

The canonical SMILES for 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane is CC.CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OCCC2CO2)c(Br)c1.CCC(C)CC1CO1.CCC(C)CCCOc1c(Br)cc(C(C)(C)c2cc(Br)c(O)c(Br)c2)cc1Br.

What is the InChIKey of 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane?

The InChIKey is WUPRCQQAWBHJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Br4O2.C19H18Br4O3.C7H14O.C2H6/c1-5-13(2)7-6-8-28-21-18(25)11-15(12-19(21)26)22(3,4)14-9-16(23)20(27)17(24)10-14;1-19(2,10-5-13(20)17(24)14(21)6-10)11-7-15(22)18(16(23)8-11)25-4-3-12-9-26-12;1-3-6(2)4-7-5-8-7;1-2/h9-13,27H,5-8H2,1-4H3;5-8,12,24H,3-4,9H2,1-2H3;6-7H,3-5H2,1-2H3;1-2H3.

What are the key properties of 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane?

2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane has a molecular weight of 1400.29 g/mol, XLogP of 18.76, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dibromo-4-[2-[3,5-dibromo-4-(4-methylhexoxy)phenyl]propan-2-yl]phenol;2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(oxiran-2-yl)ethoxy]phenyl]propan-2-yl]phenol;ethane;2-(2-methylbutyl)oxirane is sourced from PubChem (CID 143165148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).