6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol

C24H34N2O4 — CID 44604101

IUPAC6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
SMILESOCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C24H34N2O4/c27-17-5-1-3-7-19-29-23-13-9-21(10-14-23)25-26-22-11-15-24(16-12-22)30-20-8-4-2-6-18-28/h9-16,27-28H,1-8,17-20H2/b26-25+
InChIKeyOXLGBLZDEPETMH-OCEACIFDSA-N
MW414.55 g/mol
LogP5.97
Rot. Bonds16

About 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol

6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol (PubChem CID 44604101) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
PubChem CID44604101
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
SMILESOCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C24H34N2O4/c27-17-5-1-3-7-19-29-23-13-9-21(10-14-23)25-26-22-11-15-24(16-12-22)30-20-8-4-2-6-18-28/h9-16,27-28H,1-8,17-20H2/b26-25+
InChIKeyOXLGBLZDEPETMH-OCEACIFDSA-N
XLogP5.97
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
10-[4-[[4-[2-[4-(2-methoxyethoxy)phenyl]ethynyl]phenyl]diazenyl]phenoxy]decan-1-ol
CID 102104313
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 101498124
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol
CID 139076124
bis(4-heptoxyphenyl)diazene
CID 13087198
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol (CID 44604101) is 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol is OCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO)cc2)cc1.
What is the InChIKey of 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol?
The InChIKey is OXLGBLZDEPETMH-OCEACIFDSA-N. The full InChI is InChI=1S/C24H34N2O4/c27-17-5-1-3-7-19-29-23-13-9-21(10-14-23)25-26-22-11-15-24(16-12-22)30-20-8-4-2-6-18-28/h9-16,27-28H,1-8,17-20H2/b26-25+.
What are the key properties of 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol?
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol has a molecular weight of 414.55 g/mol, XLogP of 5.97, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol is sourced from PubChem (CID 44604101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).