2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol

C20H25N3O4 — CID 136827510

IUPAC2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(/N=N/c2ccccc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C20H25N3O4/c1-2-3-4-5-6-9-14-27-16-12-13-18(20(24)15-16)22-21-17-10-7-8-11-19(17)23(25)26/h7-8,10-13,15,24H,2-6,9,14H2,1H3/b22-21+
InChIKeyAAZJATNHPHLVMW-QURGRASLSA-N
MW371.44 g/mol
LogP6.46
Rot. Bonds11

About 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol

2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol (PubChem CID 136827510) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol.

Molecular Properties

Compound Name2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol
PubChem CID136827510
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(/N=N/c2ccccc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C20H25N3O4/c1-2-3-4-5-6-9-14-27-16-12-13-18(20(24)15-16)22-21-17-10-7-8-11-19(17)23(25)26/h7-8,10-13,15,24H,2-6,9,14H2,1H3/b22-21+
InChIKeyAAZJATNHPHLVMW-QURGRASLSA-N
XLogP6.46
TPSA97.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 56.46
H-Bond Donors ≤ 51
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol
CID 135703983
2-[(2,6-dimethylphenyl)diazenyl]-5-octoxyphenol
CID 136799597
2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol
CID 136799593
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
4-hexoxybenzene-1,2-diol
CID 23459322
5-heptoxy-2-nitrobenzonitrile
CID 115501456
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
1-nitro-3-octoxybenzene
CID 3442932
1-nitro-4-octadecoxybenzene
CID 4258205
2-nitrophenol;octadecan-1-amine
CID 86091351
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol?
The IUPAC name of 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol (CID 136827510) is 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol.
What is the SMILES notation for 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol?
The canonical SMILES for 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol is CCCCCCCCOc1ccc(/N=N/c2ccccc2[N+](=O)[O-])c(O)c1.
What is the InChIKey of 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol?
The InChIKey is AAZJATNHPHLVMW-QURGRASLSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-2-3-4-5-6-9-14-27-16-12-13-18(20(24)15-16)22-21-17-10-7-8-11-19(17)23(25)26/h7-8,10-13,15,24H,2-6,9,14H2,1H3/b22-21+.
What are the key properties of 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol?
2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol has a molecular weight of 371.44 g/mol, XLogP of 6.46, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol is sourced from PubChem (CID 136827510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).