[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene

C26H38N2O — CID 88604896

IUPAC[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
SMILESCCCCCCCCCc1ccc(/N=N/c2ccc(OC[C@@H](C)CC)cc2)cc1
InChIInChI=1S/C26H38N2O/c1-4-6-7-8-9-10-11-12-23-13-15-24(16-14-23)27-28-25-17-19-26(20-18-25)29-21-22(3)5-2/h13-20,22H,4-12,21H2,1-3H3/b28-27+/t22-/m0/s1
InChIKeyOYWINHRFTCDKAU-XJPNONJMSA-N
MW394.60 g/mol
LogP8.82
Rot. Bonds14

About [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene

[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene (PubChem CID 88604896) has the molecular formula C26H38N2O and a molecular weight of 394.60 g/mol. Its IUPAC name is [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene.

Molecular Properties

Compound Name[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
PubChem CID88604896
Molecular FormulaC26H38N2O
Molecular Weight394.60 g/mol
Exact Mass394.30
IUPAC Name[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
SMILESCCCCCCCCCc1ccc(/N=N/c2ccc(OC[C@@H](C)CC)cc2)cc1
InChIInChI=1S/C26H38N2O/c1-4-6-7-8-9-10-11-12-23-13-15-24(16-14-23)27-28-25-17-19-26(20-18-25)29-21-22(3)5-2/h13-20,22H,4-12,21H2,1-3H3/b28-27+/t22-/m0/s1
InChIKeyOYWINHRFTCDKAU-XJPNONJMSA-N
XLogP8.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.82
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-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
bis(4-decylphenyl)diazene
CID 71359462
[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene
CID 20667899
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
(4-butylphenyl)-[4-(2-methylbutoxy)phenyl]imino-oxidoazanium
CID 86056798
[4-(3-bromopropoxy)phenyl]-(4-hexylphenyl)diazene
CID 10811152
5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 67813109
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
2-[4-[(4-hexylphenyl)diazenyl]phenoxy]acetyl chloride
CID 22501487
(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
CID 86093178
3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene?
The IUPAC name of [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene (CID 88604896) is [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene.
What is the SMILES notation for [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene?
The canonical SMILES for [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene is CCCCCCCCCc1ccc(/N=N/c2ccc(OC[C@@H](C)CC)cc2)cc1.
What is the InChIKey of [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene?
The InChIKey is OYWINHRFTCDKAU-XJPNONJMSA-N. The full InChI is InChI=1S/C26H38N2O/c1-4-6-7-8-9-10-11-12-23-13-15-24(16-14-23)27-28-25-17-19-26(20-18-25)29-21-22(3)5-2/h13-20,22H,4-12,21H2,1-3H3/b28-27+/t22-/m0/s1.
What are the key properties of [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene?
[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene has a molecular weight of 394.60 g/mol, XLogP of 8.82, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene is sourced from PubChem (CID 88604896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).