2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol

C20H26N2O2 — CID 175998451

IUPAC2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(/N=N/c2c(C(C)C)ccc(C)c2O)c1O
InChIInChI=1S/C20H26N2O2/c1-11(2)15-9-7-13(5)19(23)17(15)21-22-18-16(12(3)4)10-8-14(6)20(18)24/h7-12,23-24H,1-6H3/b22-21+
InChIKeyJFQHRGKSFRONMB-QURGRASLSA-N
MW326.44 g/mol
LogP6.38
Rot. Bonds4

About 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol

2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol (PubChem CID 175998451) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol
PubChem CID175998451
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(/N=N/c2c(C(C)C)ccc(C)c2O)c1O
InChIInChI=1S/C20H26N2O2/c1-11(2)15-9-7-13(5)19(23)17(15)21-22-18-16(12(3)4)10-8-14(6)20(18)24/h7-12,23-24H,1-6H3/b22-21+
InChIKeyJFQHRGKSFRONMB-QURGRASLSA-N
XLogP6.38
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol?
The IUPAC name of 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol (CID 175998451) is 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol?
The canonical SMILES for 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol is Cc1ccc(C(C)C)c(/N=N/c2c(C(C)C)ccc(C)c2O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol?
The InChIKey is JFQHRGKSFRONMB-QURGRASLSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-11(2)15-9-7-13(5)19(23)17(15)21-22-18-16(12(3)4)10-8-14(6)20(18)24/h7-12,23-24H,1-6H3/b22-21+.
What are the key properties of 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol?
2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol has a molecular weight of 326.44 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol is sourced from PubChem (CID 175998451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).