4-[(4-octadecoxyphenyl)diazenyl]phenol

C30H46N2O2 — CID 136734796

IUPAC4-[(4-octadecoxyphenyl)diazenyl]phenol
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C30H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-30-24-20-28(21-25-30)32-31-27-18-22-29(33)23-19-27/h18-25,33H,2-17,26H2,1H3/b32-31+
InChIKeyLRGKTEGJGFSZDA-QNEJGDQOSA-N
MW466.71 g/mol
LogP10.45
Rot. Bonds20

About 4-[(4-octadecoxyphenyl)diazenyl]phenol

4-[(4-octadecoxyphenyl)diazenyl]phenol (PubChem CID 136734796) has the molecular formula C30H46N2O2 and a molecular weight of 466.71 g/mol. Its IUPAC name is 4-[(4-octadecoxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(4-octadecoxyphenyl)diazenyl]phenol
PubChem CID136734796
Molecular FormulaC30H46N2O2
Molecular Weight466.71 g/mol
Exact Mass466.36
IUPAC Name4-[(4-octadecoxyphenyl)diazenyl]phenol
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C30H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-30-24-20-28(21-25-30)32-31-27-18-22-29(33)23-19-27/h18-25,33H,2-17,26H2,1H3/b32-31+
InChIKeyLRGKTEGJGFSZDA-QNEJGDQOSA-N
XLogP10.45
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 510.45
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

bis(4-heptoxyphenyl)diazene
CID 13087198
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
4-octadecoxyphenol
CID 22179059
4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide
CID 136754074
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
CID 136836012
CID 136836012
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
1,3-bis[4-[(4-decoxyphenyl)diazenyl]phenoxy]propan-2-ol
CID 101214976
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807

Frequently Asked Questions

What is the IUPAC name of 4-[(4-octadecoxyphenyl)diazenyl]phenol?
The IUPAC name of 4-[(4-octadecoxyphenyl)diazenyl]phenol (CID 136734796) is 4-[(4-octadecoxyphenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(4-octadecoxyphenyl)diazenyl]phenol?
The canonical SMILES for 4-[(4-octadecoxyphenyl)diazenyl]phenol is CCCCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-octadecoxyphenyl)diazenyl]phenol?
The InChIKey is LRGKTEGJGFSZDA-QNEJGDQOSA-N. The full InChI is InChI=1S/C30H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-30-24-20-28(21-25-30)32-31-27-18-22-29(33)23-19-27/h18-25,33H,2-17,26H2,1H3/b32-31+.
What are the key properties of 4-[(4-octadecoxyphenyl)diazenyl]phenol?
4-[(4-octadecoxyphenyl)diazenyl]phenol has a molecular weight of 466.71 g/mol, XLogP of 10.45, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-octadecoxyphenyl)diazenyl]phenol is sourced from PubChem (CID 136734796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).