2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane

C140H184N2O22 — CID 158558842

IUPAC2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane
SMILESC=CCc1cc(C(C)(C)c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.CC.CC(C)(C1CCC(OCC2CO2)CC1)C1CCC(OCC2CO2)CC1.CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(C(C)(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)cc1.CC(C)C.Cc1ccc(C(C)(C)C)c(OCC2CO2)c1.c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C38H40O6.C27H32O4.C25H30N2O4.C21H36O4.C14H20O2.C9H10O2.C4H10.C2H6/c1-37(2,27-8-14-31(15-9-27)39-20-34-23-42-34)26-4-6-28(7-5-26)38(3,29-10-16-32(17-11-29)40-21-35-24-43-35)30-12-18-33(19-13-30)41-22-36-25-44-36;1-5-7-19-13-21(9-11-25(19)30-17-23-15-28-23)27(3,4)22-10-12-26(20(14-22)8-6-2)31-18-24-16-29-24;1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25;1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20;1-10-5-6-12(14(2,3)4)13(7-10)16-9-11-8-15-11;1-2-4-8(5-3-1)10-6-9-7-11-9;1-4(2)3;1-2/h4-19,34-36H,20-25H2,1-3H3;5-6,9-14,23-24H,1-2,7-8,15-18H2,3-4H3;1-8,22-25H,9-17H2;15-20H,3-14H2,1-2H3;5-7,11H,8-9H2,1-4H3;1-5,9H,6-7H2;4H,1-3H3;1-2H3
InChIKeyHQQACXRIWNLWHO-UHFFFAOYSA-N
MW2247.00 g/mol
LogP25.39
Rot. Bonds52

About 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane

2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane (PubChem CID 158558842) has the molecular formula C140H184N2O22 and a molecular weight of 2247.00 g/mol. Its IUPAC name is 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane.

Molecular Properties

Compound Name2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane
PubChem CID158558842
Molecular FormulaC140H184N2O22
Molecular Weight2247.00 g/mol
Exact Mass2245.33
IUPAC Name2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane
SMILESC=CCc1cc(C(C)(C)c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.CC.CC(C)(C1CCC(OCC2CO2)CC1)C1CCC(OCC2CO2)CC1.CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(C(C)(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)cc1.CC(C)C.Cc1ccc(C(C)(C)C)c(OCC2CO2)c1.c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C38H40O6.C27H32O4.C25H30N2O4.C21H36O4.C14H20O2.C9H10O2.C4H10.C2H6/c1-37(2,27-8-14-31(15-9-27)39-20-34-23-42-34)26-4-6-28(7-5-26)38(3,29-10-16-32(17-11-29)40-21-35-24-43-35)30-12-18-33(19-13-30)41-22-36-25-44-36;1-5-7-19-13-21(9-11-25(19)30-17-23-15-28-23)27(3,4)22-10-12-26(20(14-22)8-6-2)31-18-24-16-29-24;1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25;1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20;1-10-5-6-12(14(2,3)4)13(7-10)16-9-11-8-15-11;1-2-4-8(5-3-1)10-6-9-7-11-9;1-4(2)3;1-2/h4-19,34-36H,20-25H2,1-3H3;5-6,9-14,23-24H,1-2,7-8,15-18H2,3-4H3;1-8,22-25H,9-17H2;15-20H,3-14H2,1-2H3;5-7,11H,8-9H2,1-4H3;1-5,9H,6-7H2;4H,1-3H3;1-2H3
InChIKeyHQQACXRIWNLWHO-UHFFFAOYSA-N
XLogP25.39
TPSA252.44 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds52
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002247.00
LogP ≤ 525.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane?
The IUPAC name of 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane (CID 158558842) is 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane.
What is the SMILES notation for 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane?
The canonical SMILES for 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane is C=CCc1cc(C(C)(C)c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.CC.CC(C)(C1CCC(OCC2CO2)CC1)C1CCC(OCC2CO2)CC1.CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(C(C)(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)cc1.CC(C)C.Cc1ccc(C(C)(C)C)c(OCC2CO2)c1.c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1.c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane?
The InChIKey is HQQACXRIWNLWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40O6.C27H32O4.C25H30N2O4.C21H36O4.C14H20O2.C9H10O2.C4H10.C2H6/c1-37(2,27-8-14-31(15-9-27)39-20-34-23-42-34)26-4-6-28(7-5-26)38(3,29-10-16-32(17-11-29)40-21-35-24-43-35)30-12-18-33(19-13-30)41-22-36-25-44-36;1-5-7-19-13-21(9-11-25(19)30-17-23-15-28-23)27(3,4)22-10-12-26(20(14-22)8-6-2)31-18-24-16-29-24;1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25;1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20;1-10-5-6-12(14(2,3)4)13(7-10)16-9-11-8-15-11;1-2-4-8(5-3-1)10-6-9-7-11-9;1-4(2)3;1-2/h4-19,34-36H,20-25H2,1-3H3;5-6,9-14,23-24H,1-2,7-8,15-18H2,3-4H3;1-8,22-25H,9-17H2;15-20H,3-14H2,1-2H3;5-7,11H,8-9H2,1-4H3;1-5,9H,6-7H2;4H,1-3H3;1-2H3.
What are the key properties of 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane?
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane has a molecular weight of 2247.00 g/mol, XLogP of 25.39, 52 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;2-[(2-tert-butyl-5-methylphenoxy)methyl]oxirane;ethane;2-methylpropane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane is sourced from PubChem (CID 158558842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).