2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane

C21H22O6 — CID 129094050

IUPAC2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane
SMILESc1ccc(-c2cc(OCC3CO3)c(OCC3CO3)cc2OCC2CO2)cc1
InChIInChI=1S/C21H22O6/c1-2-4-14(5-3-1)18-6-20(26-12-16-9-23-16)21(27-13-17-10-24-17)7-19(18)25-11-15-8-22-15/h1-7,15-17H,8-13H2
InChIKeyHMQWKUNQXDKGQS-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.69
Rot. Bonds10

About 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane

2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane (PubChem CID 129094050) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane
PubChem CID129094050
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane
SMILESc1ccc(-c2cc(OCC3CO3)c(OCC3CO3)cc2OCC2CO2)cc1
InChIInChI=1S/C21H22O6/c1-2-4-14(5-3-1)18-6-20(26-12-16-9-23-16)21(27-13-17-10-24-17)7-19(18)25-11-15-8-22-15/h1-7,15-17H,8-13H2
InChIKeyHMQWKUNQXDKGQS-UHFFFAOYSA-N
XLogP2.69
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]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-[[2-phenyl-4-[1,3,3-tris[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]propyl]phenoxy]methyl]oxirane
CID 54153079
2-[[4-[4-[2-methyl-4-(oxiran-2-ylmethoxy)-5-phenylphenyl]phenyl]phenoxy]methyl]oxirane
CID 141265713
2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-2-adamantyl]-2-phenylphenoxy]methyl]oxirane
CID 139766414
2-[[4-methyl-2-(3-methylphenyl)phenoxy]methyl]oxirane
CID 168860448
2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane
CID 158524809
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
2-[12-(2-phenylphenoxy)dodecoxymethyl]oxirane
CID 175143054
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane (CID 129094050) is 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane is c1ccc(-c2cc(OCC3CO3)c(OCC3CO3)cc2OCC2CO2)cc1.
What is the InChIKey of 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane?
The InChIKey is HMQWKUNQXDKGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O6/c1-2-4-14(5-3-1)18-6-20(26-12-16-9-23-16)21(27-13-17-10-24-17)7-19(18)25-11-15-8-22-15/h1-7,15-17H,8-13H2.
What are the key properties of 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane?
2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane has a molecular weight of 370.40 g/mol, XLogP of 2.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane is sourced from PubChem (CID 129094050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).