[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene

C29H36N2O3 — CID 71420351

IUPAC[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
SMILESCOc1ccc(OCCCCCCCCCCOc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C29H36N2O3/c1-32-27-19-21-29(22-20-27)34-24-12-7-5-3-2-4-6-11-23-33-28-17-15-26(16-18-28)31-30-25-13-9-8-10-14-25/h8-10,13-22H,2-7,11-12,23-24H2,1H3/b31-30+
InChIKeyGSZDOZDFIMXYIS-NVQSTNCTSA-N
MW460.62 g/mol
LogP8.69
Rot. Bonds16

About [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene

[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene (PubChem CID 71420351) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene.

Molecular Properties

Compound Name[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
PubChem CID71420351
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC Name[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
SMILESCOc1ccc(OCCCCCCCCCCOc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C29H36N2O3/c1-32-27-19-21-29(22-20-27)34-24-12-7-5-3-2-4-6-11-23-33-28-17-15-26(16-18-28)31-30-25-13-9-8-10-14-25/h8-10,13-22H,2-7,11-12,23-24H2,1H3/b31-30+
InChIKeyGSZDOZDFIMXYIS-NVQSTNCTSA-N
XLogP8.69
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 58.69
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

phenyl-(4-undecoxyphenyl)diazene
CID 162717560
phenyl-[4-[[4-[8-[4-(4-propoxyphenyl)phenoxy]octoxy]phenyl]diazenyl]phenyl]diazene
CID 102419981
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
CID 86177503
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
methyl 11-(4-phenyldiazenylphenoxy)undecanoate
CID 151541407
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
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
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
hydroxymethyl-dimethyl-[2-(4-phenyldiazenylphenoxy)ethyl]azanium
CID 101235001

Frequently Asked Questions

What is the IUPAC name of [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene?
The IUPAC name of [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene (CID 71420351) is [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene.
What is the SMILES notation for [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene?
The canonical SMILES for [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene is COc1ccc(OCCCCCCCCCCOc2ccc(/N=N/c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene?
The InChIKey is GSZDOZDFIMXYIS-NVQSTNCTSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-32-27-19-21-29(22-20-27)34-24-12-7-5-3-2-4-6-11-23-33-28-17-15-26(16-18-28)31-30-25-13-9-8-10-14-25/h8-10,13-22H,2-7,11-12,23-24H2,1H3/b31-30+.
What are the key properties of [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene?
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene has a molecular weight of 460.62 g/mol, XLogP of 8.69, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene is sourced from PubChem (CID 71420351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).