1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol

C145H164O21 — CID 161253060

IUPAC1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol
SMILESCC(c1ccccc1)(c1ccc(OCC(O)COc2ccc(C(C)(c3ccccc3)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCC2CO2)cc1.CC1CC(C)(C)CC(c2ccc(OCC(O)COc3ccc(C4(c5ccc(OCC6CO6)cc5)CC(C)CC(C)(C)C4)cc3)cc2)(c2ccc(OCC3CO3)cc2)C1.OC(COc1ccc(C2(c3ccc(OCC4CO4)cc3)CCCCC2)cc1)COc1ccc(C2(c3ccc(OCC4CO4)cc3)CCCCC2)cc1
InChIInChI=1S/C51H64O7.C49H48O7.C45H52O7/c1-35-23-48(3,4)33-50(25-35,39-11-19-44(20-12-39)55-29-46-31-57-46)37-7-15-42(16-8-37)53-27-41(52)28-54-43-17-9-38(10-18-43)51(26-36(2)24-49(5,6)34-51)40-13-21-45(22-14-40)56-30-47-32-58-47;1-48(35-9-5-3-6-10-35,39-17-25-44(26-18-39)53-31-46-33-55-46)37-13-21-42(22-14-37)51-29-41(50)30-52-43-23-15-38(16-24-43)49(2,36-11-7-4-8-12-36)40-19-27-45(28-20-40)54-32-47-34-56-47;46-37(27-47-38-15-7-33(8-16-38)44(23-3-1-4-24-44)35-11-19-40(20-12-35)49-29-42-31-51-42)28-48-39-17-9-34(10-18-39)45(25-5-2-6-26-45)36-13-21-41(22-14-36)50-30-43-32-52-43/h7-22,35-36,41,46-47,52H,23-34H2,1-6H3;3-28,41,46-47,50H,29-34H2,1-2H3;7-22,37,42-43,46H,1-6,23-32H2
InChIKeyVBNLIEMNAJWPQU-UHFFFAOYSA-N
MW2242.89 g/mol
LogP27.66
Rot. Bonds50

About 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol

1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol (PubChem CID 161253060) has the molecular formula C145H164O21 and a molecular weight of 2242.89 g/mol. Its IUPAC name is 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol
PubChem CID161253060
Molecular FormulaC145H164O21
Molecular Weight2242.89 g/mol
Exact Mass2241.18
IUPAC Name1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol
SMILESCC(c1ccccc1)(c1ccc(OCC(O)COc2ccc(C(C)(c3ccccc3)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCC2CO2)cc1.CC1CC(C)(C)CC(c2ccc(OCC(O)COc3ccc(C4(c5ccc(OCC6CO6)cc5)CC(C)CC(C)(C)C4)cc3)cc2)(c2ccc(OCC3CO3)cc2)C1.OC(COc1ccc(C2(c3ccc(OCC4CO4)cc3)CCCCC2)cc1)COc1ccc(C2(c3ccc(OCC4CO4)cc3)CCCCC2)cc1
InChIInChI=1S/C51H64O7.C49H48O7.C45H52O7/c1-35-23-48(3,4)33-50(25-35,39-11-19-44(20-12-39)55-29-46-31-57-46)37-7-15-42(16-8-37)53-27-41(52)28-54-43-17-9-38(10-18-43)51(26-36(2)24-49(5,6)34-51)40-13-21-45(22-14-40)56-30-47-32-58-47;1-48(35-9-5-3-6-10-35,39-17-25-44(26-18-39)53-31-46-33-55-46)37-13-21-42(22-14-37)51-29-41(50)30-52-43-23-15-38(16-24-43)49(2,36-11-7-4-8-12-36)40-19-27-45(28-20-40)54-32-47-34-56-47;46-37(27-47-38-15-7-33(8-16-38)44(23-3-1-4-24-44)35-11-19-40(20-12-35)49-29-42-31-51-42)28-48-39-17-9-34(10-18-39)45(25-5-2-6-26-45)36-13-21-41(22-14-36)50-30-43-32-52-43/h7-22,35-36,41,46-47,52H,23-34H2,1-6H3;3-28,41,46-47,50H,29-34H2,1-2H3;7-22,37,42-43,46H,1-6,23-32H2
InChIKeyVBNLIEMNAJWPQU-UHFFFAOYSA-N
XLogP27.66
TPSA246.63 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds50
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002242.89
LogP ≤ 527.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol
CID 122691271
1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol
CID 118685638
1,3-bis[4-[7-[4-(oxiran-2-ylmethoxy)phenyl]-5,6,8,9-tetrahydrobenzo[7]annulen-7-yl]phenoxy]propan-2-ol
CID 59148718
1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene
CID 161095354
1-chloro-3-[4-[1-[4-(3-chloro-2-hydroxypropoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;2-[[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane
CID 162170576
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methane
CID 158673985
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methanamine
CID 91550774
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]-1,3-dihydroinden-2-yl]phenoxy]propan-2-ol
CID 59148719
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 18728927
1-[4-[1-[4-(2-hydroxypropoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]propan-2-ol
CID 57097261
(2R)-1-[4-[2-[4-[[(2R)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 89035698

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol?
The IUPAC name of 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol (CID 161253060) is 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol?
The canonical SMILES for 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol is CC(c1ccccc1)(c1ccc(OCC(O)COc2ccc(C(C)(c3ccccc3)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCC2CO2)cc1.CC1CC(C)(C)CC(c2ccc(OCC(O)COc3ccc(C4(c5ccc(OCC6CO6)cc5)CC(C)CC(C)(C)C4)cc3)cc2)(c2ccc(OCC3CO3)cc2)C1.OC(COc1ccc(C2(c3ccc(OCC4CO4)cc3)CCCCC2)cc1)COc1ccc(C2(c3ccc(OCC4CO4)cc3)CCCCC2)cc1.
What is the InChIKey of 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol?
The InChIKey is VBNLIEMNAJWPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H64O7.C49H48O7.C45H52O7/c1-35-23-48(3,4)33-50(25-35,39-11-19-44(20-12-39)55-29-46-31-57-46)37-7-15-42(16-8-37)53-27-41(52)28-54-43-17-9-38(10-18-43)51(26-36(2)24-49(5,6)34-51)40-13-21-45(22-14-40)56-30-47-32-58-47;1-48(35-9-5-3-6-10-35,39-17-25-44(26-18-39)53-31-46-33-55-46)37-13-21-42(22-14-37)51-29-41(50)30-52-43-23-15-38(16-24-43)49(2,36-11-7-4-8-12-36)40-19-27-45(28-20-40)54-32-47-34-56-47;46-37(27-47-38-15-7-33(8-16-38)44(23-3-1-4-24-44)35-11-19-40(20-12-35)49-29-42-31-51-42)28-48-39-17-9-34(10-18-39)45(25-5-2-6-26-45)36-13-21-41(22-14-36)50-30-43-32-52-43/h7-22,35-36,41,46-47,52H,23-34H2,1-6H3;3-28,41,46-47,50H,29-34H2,1-2H3;7-22,37,42-43,46H,1-6,23-32H2.
What are the key properties of 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol?
1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol has a molecular weight of 2242.89 g/mol, XLogP of 27.66, 50 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol is sourced from PubChem (CID 161253060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).