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

C25H30O5 — CID 90250195

IUPAC2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCc1cc(C(C)(C)c2ccc(OCC3CO3)c(CC3CO3)c2)ccc1OCC1CO1
InChIInChI=1S/C25H30O5/c1-16-8-18(4-6-23(16)29-14-21-12-27-21)25(2,3)19-5-7-24(30-15-22-13-28-22)17(9-19)10-20-11-26-20/h4-9,20-22H,10-15H2,1-3H3
InChIKeyOXKZIIQRJXYMPT-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.82
Rot. Bonds10

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

2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 90250195) has the molecular formula C25H30O5 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane
PubChem CID90250195
Molecular FormulaC25H30O5
Molecular Weight410.51 g/mol
Exact Mass410.21
IUPAC Name2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCc1cc(C(C)(C)c2ccc(OCC3CO3)c(CC3CO3)c2)ccc1OCC1CO1
InChIInChI=1S/C25H30O5/c1-16-8-18(4-6-23(16)29-14-21-12-27-21)25(2,3)19-5-7-24(30-15-22-13-28-22)17(9-19)10-20-11-26-20/h4-9,20-22H,10-15H2,1-3H3
InChIKeyOXKZIIQRJXYMPT-UHFFFAOYSA-N
XLogP3.82
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59027775
1-[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 134424160
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209636
2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-propan-2-ylphenyl]propan-2-yl]-2-propan-2-ylphenoxy]methyl]oxirane
CID 142418463
2-[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxetane
CID 130314268
2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
CID 163950191
4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 159331310
triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane
CID 90233850
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
(4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene
CID 101252366
2-[[4-[2-[3,5-diethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2,6-diethylphenoxy]methyl]oxirane
CID 87442552
ethane;2-[[4-[1-[4-(ethoxymethoxy)-3-methylphenyl]-1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 176676139

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 90250195) is 2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane is Cc1cc(C(C)(C)c2ccc(OCC3CO3)c(CC3CO3)c2)ccc1OCC1CO1.
What is the InChIKey of 2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The InChIKey is OXKZIIQRJXYMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O5/c1-16-8-18(4-6-23(16)29-14-21-12-27-21)25(2,3)19-5-7-24(30-15-22-13-28-22)17(9-19)10-20-11-26-20/h4-9,20-22H,10-15H2,1-3H3.
What are the key properties of 2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 410.51 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 90250195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).