6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol

C20H26N2O3 — CID 139076124

IUPAC6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol
SMILESCCOc1ccccc1/N=N/c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C20H26N2O3/c1-2-24-20-10-6-5-9-19(20)22-21-17-11-13-18(14-12-17)25-16-8-4-3-7-15-23/h5-6,9-14,23H,2-4,7-8,15-16H2,1H3/b22-21+
InChIKeyVRFHUFLHMCDVKX-QURGRASLSA-N
MW342.44 g/mol
LogP5.43
Rot. Bonds11

About 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol

6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol (PubChem CID 139076124) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol
PubChem CID139076124
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol
SMILESCCOc1ccccc1/N=N/c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C20H26N2O3/c1-2-24-20-10-6-5-9-19(20)22-21-17-11-13-18(14-12-17)25-16-8-4-3-7-15-23/h5-6,9-14,23H,2-4,7-8,15-16H2,1H3/b22-21+
InChIKeyVRFHUFLHMCDVKX-QURGRASLSA-N
XLogP5.43
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
CID 100941913
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
CID 44604101
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
[3,5-bis[6-[4-[(4-ethoxyphenyl)diazenyl]phenoxy]hexoxy]phenyl]methanol
CID 101415103
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
bis(4-heptoxyphenyl)diazene
CID 13087198
[2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene
CID 89405516
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
10-[4-[[4-[2-[4-(2-methoxyethoxy)phenyl]ethynyl]phenyl]diazenyl]phenoxy]decan-1-ol
CID 102104313
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol (CID 139076124) is 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol is CCOc1ccccc1/N=N/c1ccc(OCCCCCCO)cc1.
What is the InChIKey of 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol?
The InChIKey is VRFHUFLHMCDVKX-QURGRASLSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-24-20-10-6-5-9-19(20)22-21-17-11-13-18(14-12-17)25-16-8-4-3-7-15-23/h5-6,9-14,23H,2-4,7-8,15-16H2,1H3/b22-21+.
What are the key properties of 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol?
6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol has a molecular weight of 342.44 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol is sourced from PubChem (CID 139076124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).