1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol

C60H60Br12O9 — CID 161393257

About 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol

1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol (PubChem CID 161393257) has the molecular formula C60H60Br12O9 and a molecular weight of 1883.98 g/mol. Its IUPAC name is 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
• PubChem CID: 161393257
• Molecular Formula: C60H60Br12O9
• Molecular Weight: 1883.98 g/mol
• Exact Mass: 1871.44
• IUPAC Name: 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
• SMILES: COCC(O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC3CC3)c(Br)c2)cc1Br.Cc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(O)COc3c(Br)cc(C(C)(C)c4cc(Br)c(OCC5CO5)c(Br)c4)cc3Br)c(Br)c2)cc1Br
• InChI: InChI=1S/C37H34Br8O5.C23H26Br4O4/c1-18-25(38)6-19(7-26(18)39)36(2,3)20-8-27(40)33(28(41)9-20)48-14-23(46)15-49-34-29(42)10-21(11-30(34)43)37(4,5)22-12-31(44)35(32(45)13-22)50-17-24-16-47-24;1-23(2,14-6-17(24)21(18(25)7-14)30-10-13-4-5-13)15-8-19(26)22(20(27)9-15)31-12-16(28)11-29-3/h6-13,23-24,46H,14-17H2,1-5H3;6-9,13,16,28H,4-5,10-12H2,1-3H3
• InChIKey: VTGNTDRRRGQDED-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 108.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1883.98
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol?

The IUPAC name of 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol (CID 161393257) is 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol?

The canonical SMILES for 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol is COCC(O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC3CC3)c(Br)c2)cc1Br.Cc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(O)COc3c(Br)cc(C(C)(C)c4cc(Br)c(OCC5CO5)c(Br)c4)cc3Br)c(Br)c2)cc1Br.

What is the InChIKey of 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol?

The InChIKey is VTGNTDRRRGQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34Br8O5.C23H26Br4O4/c1-18-25(38)6-19(7-26(18)39)36(2,3)20-8-27(40)33(28(41)9-20)48-14-23(46)15-49-34-29(42)10-21(11-30(34)43)37(4,5)22-12-31(44)35(32(45)13-22)50-17-24-16-47-24;1-23(2,14-6-17(24)21(18(25)7-14)30-10-13-4-5-13)15-8-19(26)22(20(27)9-15)31-12-16(28)11-29-3/h6-13,23-24,46H,14-17H2,1-5H3;6-9,13,16,28H,4-5,10-12H2,1-3H3.

What are the key properties of 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol?

1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol has a molecular weight of 1883.98 g/mol, XLogP of 20.58, 23 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 161393257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).