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

C20H20O4 — CID 155004813

IUPAC2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
SMILESC(=C/c1cccc(OCC2CO2)c1)\c1cccc(OCC2CO2)c1
InChIInChI=1S/C20H20O4/c1-3-15(9-17(5-1)21-11-19-13-23-19)7-8-16-4-2-6-18(10-16)22-12-20-14-24-20/h1-10,19-20H,11-14H2/b8-7+
InChIKeyWVPGTYGHQAWVAW-BQYQJAHWSA-N
MW324.38 g/mol
LogP3.41
Rot. Bonds8

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

2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane (PubChem CID 155004813) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
PubChem CID155004813
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
SMILESC(=C/c1cccc(OCC2CO2)c1)\c1cccc(OCC2CO2)c1
InChIInChI=1S/C20H20O4/c1-3-15(9-17(5-1)21-11-19-13-23-19)7-8-16-4-2-6-18(10-16)22-12-20-14-24-20/h1-10,19-20H,11-14H2/b8-7+
InChIKeyWVPGTYGHQAWVAW-BQYQJAHWSA-N
XLogP3.41
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[2-[3-methoxy-5-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 154606206
2-[[3-[(E)-octadec-1-enyl]phenoxy]methyl]oxirane
CID 101313234
(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
CID 129392534
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
2-[[3-[1,3,3-tris[3-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 59217386
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[(3-benzhydrylphenoxy)methyl]oxirane
CID 123717672
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
1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine
CID 146098529
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane (CID 155004813) is 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane is C(=C/c1cccc(OCC2CO2)c1)\c1cccc(OCC2CO2)c1.
What is the InChIKey of 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane?
The InChIKey is WVPGTYGHQAWVAW-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H20O4/c1-3-15(9-17(5-1)21-11-19-13-23-19)7-8-16-4-2-6-18(10-16)22-12-20-14-24-20/h1-10,19-20H,11-14H2/b8-7+.
What are the key properties of 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane?
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane has a molecular weight of 324.38 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 155004813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).