2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane

C28H28O6 — CID 130316322

IUPAC2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane
SMILESc1cc(C(c2ccc(OCC3CO3)cc2)c2ccc(OC3CCO3)cc2)ccc1OCC1CO1
InChIInChI=1S/C28H28O6/c1-7-22(30-15-25-17-32-25)8-2-19(1)28(20-3-9-23(10-4-20)31-16-26-18-33-26)21-5-11-24(12-6-21)34-27-13-14-29-27/h1-12,25-28H,13-18H2
InChIKeyJUWWBNFCUXOKFV-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.55
Rot. Bonds11

About 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane

2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane (PubChem CID 130316322) has the molecular formula C28H28O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane.

Molecular Properties

Compound Name2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane
PubChem CID130316322
Molecular FormulaC28H28O6
Molecular Weight460.53 g/mol
Exact Mass460.19
IUPAC Name2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane
SMILESc1cc(C(c2ccc(OCC3CO3)cc2)c2ccc(OC3CCO3)cc2)ccc1OCC1CO1
InChIInChI=1S/C28H28O6/c1-7-22(30-15-25-17-32-25)8-2-19(1)28(20-3-9-23(10-4-20)31-16-26-18-33-26)21-5-11-24(12-6-21)34-27-13-14-29-27/h1-12,25-28H,13-18H2
InChIKeyJUWWBNFCUXOKFV-UHFFFAOYSA-N
XLogP4.55
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[4-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]-4-methylcycloheptyl]-[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane
CID 163718211
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
CID 87292739
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
(2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane
CID 166989043
2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane
CID 130450450
2-[[4-(2,5,5-trimethylhexan-3-yl)phenoxy]methyl]oxirane
CID 123926439
2-[[4-[bis[5-tert-butyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 54048313
2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane
CID 67790428
2-[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]oxetane
CID 149288752
2-[(3-benzhydrylphenoxy)methyl]oxirane
CID 123717672

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane?
The IUPAC name of 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane (CID 130316322) is 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane.
What is the SMILES notation for 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane?
The canonical SMILES for 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane is c1cc(C(c2ccc(OCC3CO3)cc2)c2ccc(OC3CCO3)cc2)ccc1OCC1CO1.
What is the InChIKey of 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane?
The InChIKey is JUWWBNFCUXOKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O6/c1-7-22(30-15-25-17-32-25)8-2-19(1)28(20-3-9-23(10-4-20)31-16-26-18-33-26)21-5-11-24(12-6-21)34-27-13-14-29-27/h1-12,25-28H,13-18H2.
What are the key properties of 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane?
2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane has a molecular weight of 460.53 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane is sourced from PubChem (CID 130316322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).