(4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene

C24H33ClN2O — CID 2753424

IUPAC(4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene
SMILESCCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)c(Cl)c1
InChIInChI=1S/C24H33ClN2O/c1-3-5-7-8-9-10-18-28-22-16-17-24(23(25)19-22)27-26-21-14-12-20(13-15-21)11-6-4-2/h12-17,19H,3-11,18H2,1-2H3/b27-26+
InChIKeyWXSMFGPMXVJXLJ-CYYJNZCTSA-N
MW400.99 g/mol
LogP8.84
Rot. Bonds13

About (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene

(4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene (PubChem CID 2753424) has the molecular formula C24H33ClN2O and a molecular weight of 400.99 g/mol. Its IUPAC name is (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene.

Molecular Properties

Compound Name(4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene
PubChem CID2753424
Molecular FormulaC24H33ClN2O
Molecular Weight400.99 g/mol
Exact Mass400.23
IUPAC Name(4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene
SMILESCCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)c(Cl)c1
InChIInChI=1S/C24H33ClN2O/c1-3-5-7-8-9-10-18-28-22-16-17-24(23(25)19-22)27-26-21-14-12-20(13-15-21)11-6-4-2/h12-17,19H,3-11,18H2,1-2H3/b27-26+
InChIKeyWXSMFGPMXVJXLJ-CYYJNZCTSA-N
XLogP8.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.99
LogP ≤ 58.84
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': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(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-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene
CID 58556728
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol
CID 136799593
bis(4-heptoxyphenyl)diazene
CID 13087198
[3-chloro-4-[(4-fluorophenyl)diazenyl]phenyl] 4-octoxybenzoate
CID 102345235
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
[4-(3-bromopropoxy)phenyl]-(4-hexylphenyl)diazene
CID 10811152
5-butoxy-2-[[4-[4-[4-[(4-butoxy-2-hydroxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenol;(4-butoxy-2-chlorophenyl)-[4-[4-[4-[(4-butoxy-2-chlorophenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[3-chloro-4-[[4-[4-[4-[[2-chloro-4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol;(4-hexoxyphenyl)-[4-[4-[4-[(4-hexoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[4-[[4-[4-[4-[[4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol
CID 159672556
[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
CID 10643169
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene?
The IUPAC name of (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene (CID 2753424) is (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene.
What is the SMILES notation for (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene?
The canonical SMILES for (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene is CCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)c(Cl)c1.
What is the InChIKey of (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene?
The InChIKey is WXSMFGPMXVJXLJ-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H33ClN2O/c1-3-5-7-8-9-10-18-28-22-16-17-24(23(25)19-22)27-26-21-14-12-20(13-15-21)11-6-4-2/h12-17,19H,3-11,18H2,1-2H3/b27-26+.
What are the key properties of (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene?
(4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene has a molecular weight of 400.99 g/mol, XLogP of 8.84, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene is sourced from PubChem (CID 2753424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).