2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane

C29H30O6 — CID 54565634

IUPAC2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
SMILESc1cc(Cc2ccc(Cc3cccc(OCC4CO4)c3)c(OCC3CO3)c2)cc(OCC2CO2)c1
InChIInChI=1S/C29H30O6/c1-3-20(11-24(5-1)30-14-26-16-32-26)9-22-7-8-23(29(13-22)35-19-28-18-34-28)10-21-4-2-6-25(12-21)31-15-27-17-33-27/h1-8,11-13,26-28H,9-10,14-19H2
InChIKeyZTPOUNJKWUQOCA-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.20
Rot. Bonds13

About 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane

2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane (PubChem CID 54565634) has the molecular formula C29H30O6 and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
PubChem CID54565634
Molecular FormulaC29H30O6
Molecular Weight474.55 g/mol
Exact Mass474.20
IUPAC Name2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
SMILESc1cc(Cc2ccc(Cc3cccc(OCC4CO4)c3)c(OCC3CO3)c2)cc(OCC2CO2)c1
InChIInChI=1S/C29H30O6/c1-3-20(11-24(5-1)30-14-26-16-32-26)9-22-7-8-23(29(13-22)35-19-28-18-34-28)10-21-4-2-6-25(12-21)31-15-27-17-33-27/h1-8,11-13,26-28H,9-10,14-19H2
InChIKeyZTPOUNJKWUQOCA-UHFFFAOYSA-N
XLogP4.20
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 158459779
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[2-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 161076249
2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine
CID 12919852
2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane
CID 20578598
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[(2,3,4-tribenzylphenoxy)methyl]oxirane
CID 121267117
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
2-[[3,5-bis[2-methyl-1-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 155228870
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 129094059
2-[(3-tetradec-13-enylphenoxy)methyl]oxirane
CID 101312896

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane (CID 54565634) is 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane is c1cc(Cc2ccc(Cc3cccc(OCC4CO4)c3)c(OCC3CO3)c2)cc(OCC2CO2)c1.
What is the InChIKey of 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane?
The InChIKey is ZTPOUNJKWUQOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O6/c1-3-20(11-24(5-1)30-14-26-16-32-26)9-22-7-8-23(29(13-22)35-19-28-18-34-28)10-21-4-2-6-25(12-21)31-15-27-17-33-27/h1-8,11-13,26-28H,9-10,14-19H2.
What are the key properties of 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane?
2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane has a molecular weight of 474.55 g/mol, XLogP of 4.20, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 54565634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).