bis[4-(oxiran-2-ylmethoxy)phenyl]diazene

C18H18N2O4 — CID 4055525

IUPACbis[4-(oxiran-2-ylmethoxy)phenyl]diazene
SMILESc1cc(OCC2CO2)ccc1/N=N/c1ccc(OCC2CO2)cc1
InChIInChI=1S/C18H18N2O4/c1-5-15(21-9-17-11-23-17)6-2-13(1)19-20-14-3-7-16(8-4-14)22-10-18-12-24-18/h1-8,17-18H,9-12H2/b20-19+
InChIKeyZXKWAVIXAFUNSC-FMQUCBEESA-N
MW326.35 g/mol
LogP3.66
Rot. Bonds8

About bis[4-(oxiran-2-ylmethoxy)phenyl]diazene

bis[4-(oxiran-2-ylmethoxy)phenyl]diazene (PubChem CID 4055525) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is bis[4-(oxiran-2-ylmethoxy)phenyl]diazene.

Molecular Properties

Compound Namebis[4-(oxiran-2-ylmethoxy)phenyl]diazene
PubChem CID4055525
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namebis[4-(oxiran-2-ylmethoxy)phenyl]diazene
SMILESc1cc(OCC2CO2)ccc1/N=N/c1ccc(OCC2CO2)cc1
InChIInChI=1S/C18H18N2O4/c1-5-15(21-9-17-11-23-17)6-2-13(1)19-20-14-3-7-16(8-4-14)22-10-18-12-24-18/h1-8,17-18H,9-12H2/b20-19+
InChIKeyZXKWAVIXAFUNSC-FMQUCBEESA-N
XLogP3.66
TPSA68.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
CID 59015330
CID 59015330
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane
CID 21248194
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 59079287

Frequently Asked Questions

What is the IUPAC name of bis[4-(oxiran-2-ylmethoxy)phenyl]diazene?
The IUPAC name of bis[4-(oxiran-2-ylmethoxy)phenyl]diazene (CID 4055525) is bis[4-(oxiran-2-ylmethoxy)phenyl]diazene.
What is the SMILES notation for bis[4-(oxiran-2-ylmethoxy)phenyl]diazene?
The canonical SMILES for bis[4-(oxiran-2-ylmethoxy)phenyl]diazene is c1cc(OCC2CO2)ccc1/N=N/c1ccc(OCC2CO2)cc1.
What is the InChIKey of bis[4-(oxiran-2-ylmethoxy)phenyl]diazene?
The InChIKey is ZXKWAVIXAFUNSC-FMQUCBEESA-N. The full InChI is InChI=1S/C18H18N2O4/c1-5-15(21-9-17-11-23-17)6-2-13(1)19-20-14-3-7-16(8-4-14)22-10-18-12-24-18/h1-8,17-18H,9-12H2/b20-19+.
What are the key properties of bis[4-(oxiran-2-ylmethoxy)phenyl]diazene?
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene has a molecular weight of 326.35 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(oxiran-2-ylmethoxy)phenyl]diazene is sourced from PubChem (CID 4055525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).