[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene

C16H17BrN2O2 — CID 86177503

IUPAC[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2ccc(OCCCBr)cc2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-20-15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)21-12-2-11-17/h3-10H,2,11-12H2,1H3/b19-18+
InChIKeyJFWLRKLBLFWFAS-VHEBQXMUSA-N
MW349.23 g/mol
LogP5.27
Rot. Bonds7

About [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene

[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene (PubChem CID 86177503) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
PubChem CID86177503
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2ccc(OCCCBr)cc2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-20-15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)21-12-2-11-17/h3-10H,2,11-12H2,1H3/b19-18+
InChIKeyJFWLRKLBLFWFAS-VHEBQXMUSA-N
XLogP5.27
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
CID 10643169
[4-(3-bromopropoxy)phenyl]-(4-hexylphenyl)diazene
CID 10811152
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
methyl 4-[[4-(5-bromopentoxy)phenyl]diazenyl]benzoate
CID 139041792
[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
CID 101188432
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
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene?
The IUPAC name of [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene (CID 86177503) is [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene.
What is the SMILES notation for [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene?
The canonical SMILES for [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene is COc1ccc(/N=N/c2ccc(OCCCBr)cc2)cc1.
What is the InChIKey of [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene?
The InChIKey is JFWLRKLBLFWFAS-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-20-15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)21-12-2-11-17/h3-10H,2,11-12H2,1H3/b19-18+.
What are the key properties of [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene?
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene has a molecular weight of 349.23 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene is sourced from PubChem (CID 86177503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).