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

C57H60O12 — CID 161076249

IUPAC2-[[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
SMILESc1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)c(Cc2ccc(OCC3CO3)cc2)c1.c1ccc(OCC2CO2)c(Cc2ccccc2OCC2CO2)c1
InChIInChI=1S/3C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19;1-3-7-18(22-12-16-10-20-16)14(5-1)9-15-6-2-4-8-19(15)23-13-17-11-21-17;1-2-4-19(23-13-18-12-22-18)15(3-1)9-14-5-7-16(8-6-14)20-10-17-11-21-17/h1-8,18-19H,9-13H2;1-8,16-17H,9-13H2;1-8,17-18H,9-13H2
InChIKeyUFHVOMXITWBGPZ-UHFFFAOYSA-N
MW937.10 g/mol
LogP8.50
Rot. Bonds24

About 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

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 (PubChem CID 161076249) has the molecular formula C57H60O12 and a molecular weight of 937.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID161076249
Molecular FormulaC57H60O12
Molecular Weight937.10 g/mol
Exact Mass936.41
IUPAC Name2-[[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
SMILESc1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)c(Cc2ccc(OCC3CO3)cc2)c1.c1ccc(OCC2CO2)c(Cc2ccccc2OCC2CO2)c1
InChIInChI=1S/3C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19;1-3-7-18(22-12-16-10-20-16)14(5-1)9-15-6-2-4-8-19(15)23-13-17-11-21-17;1-2-4-19(23-13-18-12-22-18)15(3-1)9-14-5-7-16(8-6-14)20-10-17-11-21-17/h1-8,18-19H,9-13H2;1-8,16-17H,9-13H2;1-8,17-18H,9-13H2
InChIKeyUFHVOMXITWBGPZ-UHFFFAOYSA-N
XLogP8.50
TPSA130.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.10
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
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-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 54565634
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
4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane
CID 140578921
2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 174999091
CID 59015330
CID 59015330
2-[(2,3,4-tribenzylphenoxy)methyl]oxirane
CID 121267117
2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane
CID 101312440
ethene;2-(phenoxymethyl)oxirane
CID 135283522

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)c(Cc2ccc(OCC3CO3)cc2)c1.c1ccc(OCC2CO2)c(Cc2ccccc2OCC2CO2)c1.
What is the InChIKey of 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?
The InChIKey is UFHVOMXITWBGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19;1-3-7-18(22-12-16-10-20-16)14(5-1)9-15-6-2-4-8-19(15)23-13-17-11-21-17;1-2-4-19(23-13-18-12-22-18)15(3-1)9-14-5-7-16(8-6-14)20-10-17-11-21-17/h1-8,18-19H,9-13H2;1-8,16-17H,9-13H2;1-8,17-18H,9-13H2.
What are the key properties of 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?
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 has a molecular weight of 937.10 g/mol, XLogP of 8.50, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161076249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).