1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol

C60H68Br4O9 — CID 159997567

About 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol

1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol (PubChem CID 159997567) has the molecular formula C60H68Br4O9 and a molecular weight of 1252.81 g/mol. Its IUPAC name is 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
• PubChem CID: 159997567
• Molecular Formula: C60H68Br4O9
• Molecular Weight: 1252.81 g/mol
• Exact Mass: 1248.16
• IUPAC Name: 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
• SMILES: COCC(O)COc1ccc(C(C)(C)c2ccc(OCC3CC3)cc2)cc1.Cc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(O)COc3ccc(C(C)(C)c4ccc(OCC5CO5)cc4)cc3)c(Br)c2)cc1Br
• InChI: InChI=1S/C37H38Br4O5.C23H30O4/c1-22-31(38)14-25(15-32(22)39)37(4,5)26-16-33(40)35(34(41)17-26)46-19-27(42)18-43-28-10-6-23(7-11-28)36(2,3)24-8-12-29(13-9-24)44-20-30-21-45-30;1-23(2,18-6-10-21(11-7-18)26-14-17-4-5-17)19-8-12-22(13-9-19)27-16-20(24)15-25-3/h6-17,27,30,42H,18-21H2,1-5H3;6-13,17,20,24H,4-5,14-16H2,1-3H3
• InChIKey: OHSXELBJVSBHOE-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 108.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1252.81
LogP ≤ 5	14.48
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-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol?

The IUPAC name of 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol (CID 159997567) is 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol?

The canonical SMILES for 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol is COCC(O)COc1ccc(C(C)(C)c2ccc(OCC3CC3)cc2)cc1.Cc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(O)COc3ccc(C(C)(C)c4ccc(OCC5CO5)cc4)cc3)c(Br)c2)cc1Br.

What is the InChIKey of 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol?

The InChIKey is OHSXELBJVSBHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38Br4O5.C23H30O4/c1-22-31(38)14-25(15-32(22)39)37(4,5)26-16-33(40)35(34(41)17-26)46-19-27(42)18-43-28-10-6-23(7-11-28)36(2,3)24-8-12-29(13-9-24)44-20-30-21-45-30;1-23(2,18-6-10-21(11-7-18)26-14-17-4-5-17)19-8-12-22(13-9-19)27-16-20(24)15-25-3/h6-17,27,30,42H,18-21H2,1-5H3;6-13,17,20,24H,4-5,14-16H2,1-3H3.

What are the key properties of 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol?

1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol has a molecular weight of 1252.81 g/mol, XLogP of 14.48, 23 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[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-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 159997567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).