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

C26H26O4 — CID 134221521

IUPAC2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
SMILESc1cc(Cc2ccc(OCC3CO3)cc2)cc(Cc2ccc(OCC3CO3)cc2)c1
InChIInChI=1S/C26H26O4/c1-2-21(12-19-4-8-23(9-5-19)27-15-25-17-29-25)14-22(3-1)13-20-6-10-24(11-7-20)28-16-26-18-30-26/h1-11,14,25-26H,12-13,15-18H2
InChIKeyQMKJENCPQWOYLF-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.42
Rot. Bonds10

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

2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane (PubChem CID 134221521) has the molecular formula C26H26O4 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
PubChem CID134221521
Molecular FormulaC26H26O4
Molecular Weight402.49 g/mol
Exact Mass402.18
IUPAC Name2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
SMILESc1cc(Cc2ccc(OCC3CO3)cc2)cc(Cc2ccc(OCC3CO3)cc2)c1
InChIInChI=1S/C26H26O4/c1-2-21(12-19-4-8-23(9-5-19)27-15-25-17-29-25)14-22(3-1)13-20-6-10-24(11-7-20)28-16-26-18-30-26/h1-11,14,25-26H,12-13,15-18H2
InChIKeyQMKJENCPQWOYLF-UHFFFAOYSA-N
XLogP4.42
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 161038979
2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 54565634
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
CID 59015330
CID 59015330
4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane
CID 140578921
2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 87877907
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
2-[[4-[4-[3-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]phenoxy]phenyl]phenoxy]methyl]oxirane
CID 87453140

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane (CID 134221521) is 2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane is c1cc(Cc2ccc(OCC3CO3)cc2)cc(Cc2ccc(OCC3CO3)cc2)c1.
What is the InChIKey of 2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?
The InChIKey is QMKJENCPQWOYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O4/c1-2-21(12-19-4-8-23(9-5-19)27-15-25-17-29-25)14-22(3-1)13-20-6-10-24(11-7-20)28-16-26-18-30-26/h1-11,14,25-26H,12-13,15-18H2.
What are the key properties of 2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane has a molecular weight of 402.49 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 134221521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).