4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol

C21H21N5O2 — CID 163658365

IUPAC4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol
SMILESCOc1cc(/N=N/c2ccc(N)cc2C)c(C)cc1/N=N/c1ccc(O)cc1
InChIInChI=1S/C21H21N5O2/c1-13-10-15(22)4-9-18(13)24-25-19-12-21(28-3)20(11-14(19)2)26-23-16-5-7-17(27)8-6-16/h4-12,27H,22H2,1-3H3/b25-24+,26-23+
InChIKeyISFDKGDXFYNHLS-GDNNORCTSA-N
MW375.43 g/mol
LogP6.43
Rot. Bonds5

About 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol

4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol (PubChem CID 163658365) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol
PubChem CID163658365
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol
SMILESCOc1cc(/N=N/c2ccc(N)cc2C)c(C)cc1/N=N/c1ccc(O)cc1
InChIInChI=1S/C21H21N5O2/c1-13-10-15(22)4-9-18(13)24-25-19-12-21(28-3)20(11-14(19)2)26-23-16-5-7-17(27)8-6-16/h4-12,27H,22H2,1-3H3/b25-24+,26-23+
InChIKeyISFDKGDXFYNHLS-GDNNORCTSA-N
XLogP6.43
TPSA104.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol?
The IUPAC name of 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol (CID 163658365) is 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol.
What is the SMILES notation for 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol?
The canonical SMILES for 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol is COc1cc(/N=N/c2ccc(N)cc2C)c(C)cc1/N=N/c1ccc(O)cc1.
What is the InChIKey of 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol?
The InChIKey is ISFDKGDXFYNHLS-GDNNORCTSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-10-15(22)4-9-18(13)24-25-19-12-21(28-3)20(11-14(19)2)26-23-16-5-7-17(27)8-6-16/h4-12,27H,22H2,1-3H3/b25-24+,26-23+.
What are the key properties of 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol?
4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol has a molecular weight of 375.43 g/mol, XLogP of 6.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol is sourced from PubChem (CID 163658365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).