[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene

C17H19BrN2O — CID 101188432

IUPAC[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
SMILESCCCCOc1ccc(/N=N/c2ccc(CBr)cc2)cc1
InChIInChI=1S/C17H19BrN2O/c1-2-3-12-21-17-10-8-16(9-11-17)20-19-15-6-4-14(13-18)5-7-15/h4-11H,2-3,12-13H2,1H3/b20-19+
InChIKeyAZLZGWOQTANQMF-FMQUCBEESA-N
MW347.26 g/mol
LogP6.18
Rot. Bonds7

About [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene

[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene (PubChem CID 101188432) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene.

Molecular Properties

Compound Name[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
PubChem CID101188432
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
SMILESCCCCOc1ccc(/N=N/c2ccc(CBr)cc2)cc1
InChIInChI=1S/C17H19BrN2O/c1-2-3-12-21-17-10-8-16(9-11-17)20-19-15-6-4-14(13-18)5-7-15/h4-11H,2-3,12-13H2,1H3/b20-19+
InChIKeyAZLZGWOQTANQMF-FMQUCBEESA-N
XLogP6.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.26
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
CID 10643169
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
bis(4-heptoxyphenyl)diazene
CID 13087198
[4-(3-bromopropoxy)phenyl]-(4-hexylphenyl)diazene
CID 10811152
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
1-(bromomethyl)-4-(4-propoxyphenoxy)benzene
CID 107087461
[4-[(4-dodecoxyphenyl)diazenyl]phenyl]methyl-trimethylazanium
CID 132505765
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene?
The IUPAC name of [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene (CID 101188432) is [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene.
What is the SMILES notation for [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene?
The canonical SMILES for [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene is CCCCOc1ccc(/N=N/c2ccc(CBr)cc2)cc1.
What is the InChIKey of [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene?
The InChIKey is AZLZGWOQTANQMF-FMQUCBEESA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-3-12-21-17-10-8-16(9-11-17)20-19-15-6-4-14(13-18)5-7-15/h4-11H,2-3,12-13H2,1H3/b20-19+.
What are the key properties of [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene?
[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene has a molecular weight of 347.26 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene is sourced from PubChem (CID 101188432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).