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

C49H64O11 — CID 145295177

IUPAC1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol
SMILESCC(OCCOCCOCCOCCOC(C)Oc1ccc(C(C)(C)c2ccc(OCC3(O)CC3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1
InChIInChI=1S/C49H64O11/c1-36(59-44-19-11-40(12-20-44)47(3,4)38-7-15-42(16-8-38)56-33-46-34-57-46)54-31-29-52-27-25-51-26-28-53-30-32-55-37(2)60-45-21-13-41(14-22-45)48(5,6)39-9-17-43(18-10-39)58-35-49(50)23-24-49/h7-22,36-37,46,50H,23-35H2,1-6H3
InChIKeyJROBCUXNIKSPQD-UHFFFAOYSA-N
MW829.04 g/mol
LogP8.25
Rot. Bonds28

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

1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol (PubChem CID 145295177) has the molecular formula C49H64O11 and a molecular weight of 829.04 g/mol. Its IUPAC name is 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol
PubChem CID145295177
Molecular FormulaC49H64O11
Molecular Weight829.04 g/mol
Exact Mass828.44
IUPAC Name1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol
SMILESCC(OCCOCCOCCOCCOC(C)Oc1ccc(C(C)(C)c2ccc(OCC3(O)CC3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1
InChIInChI=1S/C49H64O11/c1-36(59-44-19-11-40(12-20-44)47(3,4)38-7-15-42(16-8-38)56-33-46-34-57-46)54-31-29-52-27-25-51-26-28-53-30-32-55-37(2)60-45-21-13-41(14-22-45)48(5,6)39-9-17-43(18-10-39)58-35-49(50)23-24-49/h7-22,36-37,46,50H,23-35H2,1-6H3
InChIKeyJROBCUXNIKSPQD-UHFFFAOYSA-N
XLogP8.25
TPSA115.83 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500829.04
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol (CID 145295177) is 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol is CC(OCCOCCOCCOCCOC(C)Oc1ccc(C(C)(C)c2ccc(OCC3(O)CC3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.
What is the InChIKey of 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol?
The InChIKey is JROBCUXNIKSPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H64O11/c1-36(59-44-19-11-40(12-20-44)47(3,4)38-7-15-42(16-8-38)56-33-46-34-57-46)54-31-29-52-27-25-51-26-28-53-30-32-55-37(2)60-45-21-13-41(14-22-45)48(5,6)39-9-17-43(18-10-39)58-35-49(50)23-24-49/h7-22,36-37,46,50H,23-35H2,1-6H3.
What are the key properties of 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol?
1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol has a molecular weight of 829.04 g/mol, XLogP of 8.25, 28 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol is sourced from PubChem (CID 145295177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).