2,6-dimethyl-3-phenyldiazenylphenol

C14H14N2O — CID 90731242

IUPAC2,6-dimethyl-3-phenyldiazenylphenol
SMILESCc1ccc(/N=N/c2ccccc2)c(C)c1O
InChIInChI=1S/C14H14N2O/c1-10-8-9-13(11(2)14(10)17)16-15-12-6-4-3-5-7-12/h3-9,17H,1-2H3/b16-15+
InChIKeyCIMUKUWDGGRROW-FOCLMDBBSA-N
MW226.28 g/mol
LogP4.42
Rot. Bonds2

About 2,6-dimethyl-3-phenyldiazenylphenol

2,6-dimethyl-3-phenyldiazenylphenol (PubChem CID 90731242) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,6-dimethyl-3-phenyldiazenylphenol.

Molecular Properties

Compound Name2,6-dimethyl-3-phenyldiazenylphenol
PubChem CID90731242
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2,6-dimethyl-3-phenyldiazenylphenol
SMILESCc1ccc(/N=N/c2ccccc2)c(C)c1O
InChIInChI=1S/C14H14N2O/c1-10-8-9-13(11(2)14(10)17)16-15-12-6-4-3-5-7-12/h3-9,17H,1-2H3/b16-15+
InChIKeyCIMUKUWDGGRROW-FOCLMDBBSA-N
XLogP4.42
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,6-dimethyl-3-phenyldiazenylphenol?
The IUPAC name of 2,6-dimethyl-3-phenyldiazenylphenol (CID 90731242) is 2,6-dimethyl-3-phenyldiazenylphenol.
What is the SMILES notation for 2,6-dimethyl-3-phenyldiazenylphenol?
The canonical SMILES for 2,6-dimethyl-3-phenyldiazenylphenol is Cc1ccc(/N=N/c2ccccc2)c(C)c1O.
What is the InChIKey of 2,6-dimethyl-3-phenyldiazenylphenol?
The InChIKey is CIMUKUWDGGRROW-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-8-9-13(11(2)14(10)17)16-15-12-6-4-3-5-7-12/h3-9,17H,1-2H3/b16-15+.
What are the key properties of 2,6-dimethyl-3-phenyldiazenylphenol?
2,6-dimethyl-3-phenyldiazenylphenol has a molecular weight of 226.28 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-phenyldiazenylphenol is sourced from PubChem (CID 90731242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).