2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane

C24H26O8 — CID 129094170

IUPAC2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
SMILESc1ccc(-c2c(OCC3CO3)ccc(OCC3CO3)c2OCC2CO2)c(OCC2CO2)c1
InChIInChI=1S/C24H26O8/c1-2-4-20(29-11-15-7-25-15)19(3-1)23-21(30-12-16-8-26-16)5-6-22(31-13-17-9-27-17)24(23)32-14-18-10-28-18/h1-6,15-18H,7-14H2
InChIKeyCFBLZDFTMWHFFN-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.46
Rot. Bonds13

About 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane

2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane (PubChem CID 129094170) has the molecular formula C24H26O8 and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
PubChem CID129094170
Molecular FormulaC24H26O8
Molecular Weight442.46 g/mol
Exact Mass442.16
IUPAC Name2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
SMILESc1ccc(-c2c(OCC3CO3)ccc(OCC3CO3)c2OCC2CO2)c(OCC2CO2)c1
InChIInChI=1S/C24H26O8/c1-2-4-20(29-11-15-7-25-15)19(3-1)23-21(30-12-16-8-26-16)5-6-22(31-13-17-9-27-17)24(23)32-14-18-10-28-18/h1-6,15-18H,7-14H2
InChIKeyCFBLZDFTMWHFFN-UHFFFAOYSA-N
XLogP2.46
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane with MolForge

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Related Compounds

2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
1-(oxiran-2-ylmethoxy)anthracene-9,10-dione
CID 13423602
CID 23069443
CID 23069443
2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 129094059
5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole
CID 142614385
(2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane
CID 87755894
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112
2-[[2-(1-benzothiophen-2-yl)phenoxy]methyl]oxirane
CID 21182758
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane (CID 129094170) is 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane is c1ccc(-c2c(OCC3CO3)ccc(OCC3CO3)c2OCC2CO2)c(OCC2CO2)c1.
What is the InChIKey of 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?
The InChIKey is CFBLZDFTMWHFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O8/c1-2-4-20(29-11-15-7-25-15)19(3-1)23-21(30-12-16-8-26-16)5-6-22(31-13-17-9-27-17)24(23)32-14-18-10-28-18/h1-6,15-18H,7-14H2.
What are the key properties of 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?
2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane has a molecular weight of 442.46 g/mol, XLogP of 2.46, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 129094170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).