[5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene

C21H27ClN2O2 — CID 20729312

IUPAC[5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene
SMILES[H]/N=N/c1cc(Cl)c(-c2ccc(OC)cc2)cc1OCCCCCCCC
InChIInChI=1S/C21H27ClN2O2/c1-3-4-5-6-7-8-13-26-21-14-18(19(22)15-20(21)24-23)16-9-11-17(25-2)12-10-16/h9-12,14-15,23H,3-8,13H2,1-2H3/b24-23+
InChIKeyGFLUFVTWLNPFJC-WCWDXBQESA-N
MW374.91 g/mol
LogP7.42
Rot. Bonds11

About [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene

[5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene (PubChem CID 20729312) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene.

Molecular Properties

Compound Name[5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene
PubChem CID20729312
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name[5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene
SMILES[H]/N=N/c1cc(Cl)c(-c2ccc(OC)cc2)cc1OCCCCCCCC
InChIInChI=1S/C21H27ClN2O2/c1-3-4-5-6-7-8-13-26-21-14-18(19(22)15-20(21)24-23)16-9-11-17(25-2)12-10-16/h9-12,14-15,23H,3-8,13H2,1-2H3/b24-23+
InChIKeyGFLUFVTWLNPFJC-WCWDXBQESA-N
XLogP7.42
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.91
LogP ≤ 57.42
H-Bond Donors ≤ 51
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': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[5-dodecylsulfanyl-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene
CID 20729314
[2,5-bis[2-(2-butoxyphenoxy)ethoxy]-4-(4-methoxyphenyl)phenyl]diazene
CID 20729262
[3,6-diheptoxy-2-methoxy-4-(4-methoxyphenyl)phenyl]iminoazanium
CID 20729291
[2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene
CID 20729276
1-methoxy-4-tetradecoxybenzene
CID 91712423
[2,5-didecoxy-4-(4-methylphenyl)phenyl]iminoazanium
CID 20729269
(2-hexoxy-4-piperidin-1-ylphenyl)diazene
CID 20762664
4-(3-butoxy-4-diazenylphenyl)butan-1-ol
CID 66821853
(5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene
CID 21063535
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
2-methoxy-1-octadecoxy-4-[4-(4-octadecoxyphenyl)phenyl]benzene
CID 150766167

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene?
The IUPAC name of [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene (CID 20729312) is [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene.
What is the SMILES notation for [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene?
The canonical SMILES for [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene is [H]/N=N/c1cc(Cl)c(-c2ccc(OC)cc2)cc1OCCCCCCCC.
What is the InChIKey of [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene?
The InChIKey is GFLUFVTWLNPFJC-WCWDXBQESA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-3-4-5-6-7-8-13-26-21-14-18(19(22)15-20(21)24-23)16-9-11-17(25-2)12-10-16/h9-12,14-15,23H,3-8,13H2,1-2H3/b24-23+.
What are the key properties of [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene?
[5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene has a molecular weight of 374.91 g/mol, XLogP of 7.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene is sourced from PubChem (CID 20729312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).