[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene

C26H28N2O3 — CID 71342009

IUPAC[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
SMILESC=Cc1ccc(OCCCCCOc2ccc(/N=N/c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-3-21-7-13-25(14-8-21)30-19-5-4-6-20-31-26-17-11-23(12-18-26)28-27-22-9-15-24(29-2)16-10-22/h3,7-18H,1,4-6,19-20H2,2H3/b28-27+
InChIKeyJFOKTVRCRNKFND-BYYHNAKLSA-N
MW416.52 g/mol
LogP7.38
Rot. Bonds12

About [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene

[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene (PubChem CID 71342009) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
PubChem CID71342009
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
SMILESC=Cc1ccc(OCCCCCOc2ccc(/N=N/c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-3-21-7-13-25(14-8-21)30-19-5-4-6-20-31-26-17-11-23(12-18-26)28-27-22-9-15-24(29-2)16-10-22/h3,7-18H,1,4-6,19-20H2,2H3/b28-27+
InChIKeyJFOKTVRCRNKFND-BYYHNAKLSA-N
XLogP7.38
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene
CID 101054146
1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
CID 101153259
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
CID 86177503
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene?
The IUPAC name of [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene (CID 71342009) is [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene.
What is the SMILES notation for [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene?
The canonical SMILES for [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene is C=Cc1ccc(OCCCCCOc2ccc(/N=N/c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene?
The InChIKey is JFOKTVRCRNKFND-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-3-21-7-13-25(14-8-21)30-19-5-4-6-20-31-26-17-11-23(12-18-26)28-27-22-9-15-24(29-2)16-10-22/h3,7-18H,1,4-6,19-20H2,2H3/b28-27+.
What are the key properties of [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene?
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene has a molecular weight of 416.52 g/mol, XLogP of 7.38, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene is sourced from PubChem (CID 71342009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).