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

C19H23BrN2O — CID 10643169

IUPAC[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
SMILESCCCCc1ccc(/N=N/c2ccc(OCCCBr)cc2)cc1
InChIInChI=1S/C19H23BrN2O/c1-2-3-5-16-6-8-17(9-7-16)21-22-18-10-12-19(13-11-18)23-15-4-14-20/h6-13H,2-5,14-15H2,1H3/b22-21+
InChIKeyIUHATIUUABQLMI-QURGRASLSA-N
MW375.31 g/mol
LogP6.61
Rot. Bonds9

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

[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene (PubChem CID 10643169) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is [4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene.

Molecular Properties

Compound Name[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
PubChem CID10643169
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
SMILESCCCCc1ccc(/N=N/c2ccc(OCCCBr)cc2)cc1
InChIInChI=1S/C19H23BrN2O/c1-2-3-5-16-6-8-17(9-7-16)21-22-18-10-12-19(13-11-18)23-15-4-14-20/h6-13H,2-5,14-15H2,1H3/b22-21+
InChIKeyIUHATIUUABQLMI-QURGRASLSA-N
XLogP6.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 56.61
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-hexylphenyl)diazene
CID 10811152
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
1-(4-bromobutoxy)-4-butylbenzene
CID 67807255
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
CID 101188432
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
1-(8-bromooctoxy)-4-octylbenzene
CID 71362088
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
CID 86177503
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene
CID 58556728
[4-[4-[5-[4-[(4-butylphenyl)diazenyl]phenoxy]pentanoyloxy]phenyl]phenyl] 5-[4-[(4-butylphenyl)diazenyl]phenoxy]pentanoate
CID 132609961
bis(4-heptoxyphenyl)diazene
CID 13087198

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene?
The IUPAC name of [4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene (CID 10643169) is [4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene.
What is the SMILES notation for [4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene?
The canonical SMILES for [4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene is CCCCc1ccc(/N=N/c2ccc(OCCCBr)cc2)cc1.
What is the InChIKey of [4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene?
The InChIKey is IUHATIUUABQLMI-QURGRASLSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-2-3-5-16-6-8-17(9-7-16)21-22-18-10-12-19(13-11-18)23-15-4-14-20/h6-13H,2-5,14-15H2,1H3/b22-21+.
What are the key properties of [4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene?
[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene has a molecular weight of 375.31 g/mol, XLogP of 6.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene is sourced from PubChem (CID 10643169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).