4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol

C20H18N4O2 — CID 3015516

IUPAC4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol
SMILESCc1cc(/N=N/c2ccc(/N=N/c3ccc(O)cc3C)cc2)ccc1O
InChIInChI=1S/C20H18N4O2/c1-13-12-18(25)8-9-19(13)24-22-16-5-3-15(4-6-16)21-23-17-7-10-20(26)14(2)11-17/h3-12,25-26H,1-2H3/b23-21+,24-22+
InChIKeyJCQDQWMRANMFIK-MBALSZOMSA-N
MW346.39 g/mol
LogP6.55
Rot. Bonds4

About 4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol

4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol (PubChem CID 3015516) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol
PubChem CID3015516
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol
SMILESCc1cc(/N=N/c2ccc(/N=N/c3ccc(O)cc3C)cc2)ccc1O
InChIInChI=1S/C20H18N4O2/c1-13-12-18(25)8-9-19(13)24-22-16-5-3-15(4-6-16)21-23-17-7-10-20(26)14(2)11-17/h3-12,25-26H,1-2H3/b23-21+,24-22+
InChIKeyJCQDQWMRANMFIK-MBALSZOMSA-N
XLogP6.55
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol?
The IUPAC name of 4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol (CID 3015516) is 4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol.
What is the SMILES notation for 4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol?
The canonical SMILES for 4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol is Cc1cc(/N=N/c2ccc(/N=N/c3ccc(O)cc3C)cc2)ccc1O.
What is the InChIKey of 4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol?
The InChIKey is JCQDQWMRANMFIK-MBALSZOMSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-12-18(25)8-9-19(13)24-22-16-5-3-15(4-6-16)21-23-17-7-10-20(26)14(2)11-17/h3-12,25-26H,1-2H3/b23-21+,24-22+.
What are the key properties of 4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol?
4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol has a molecular weight of 346.39 g/mol, XLogP of 6.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol is sourced from PubChem (CID 3015516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).