3-methyl-2,4-bis(phenyldiazenyl)phenol

C19H16N4O — CID 165356991

IUPAC3-methyl-2,4-bis(phenyldiazenyl)phenol
SMILESCc1c(/N=N/c2ccccc2)ccc(O)c1/N=N/c1ccccc1
InChIInChI=1S/C19H16N4O/c1-14-17(22-20-15-8-4-2-5-9-15)12-13-18(24)19(14)23-21-16-10-6-3-7-11-16/h2-13,24H,1H3/b22-20+,23-21+
InChIKeyKVIFHLKSVCIYTG-DQPVQCHKSA-N
MW316.36 g/mol
LogP6.53
Rot. Bonds4

About 3-methyl-2,4-bis(phenyldiazenyl)phenol

3-methyl-2,4-bis(phenyldiazenyl)phenol (PubChem CID 165356991) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methyl-2,4-bis(phenyldiazenyl)phenol.

Molecular Properties

Compound Name3-methyl-2,4-bis(phenyldiazenyl)phenol
PubChem CID165356991
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-methyl-2,4-bis(phenyldiazenyl)phenol
SMILESCc1c(/N=N/c2ccccc2)ccc(O)c1/N=N/c1ccccc1
InChIInChI=1S/C19H16N4O/c1-14-17(22-20-15-8-4-2-5-9-15)12-13-18(24)19(14)23-21-16-10-6-3-7-11-16/h2-13,24H,1H3/b22-20+,23-21+
InChIKeyKVIFHLKSVCIYTG-DQPVQCHKSA-N
XLogP6.53
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-methyl-2,4-bis(phenyldiazenyl)phenol?
The IUPAC name of 3-methyl-2,4-bis(phenyldiazenyl)phenol (CID 165356991) is 3-methyl-2,4-bis(phenyldiazenyl)phenol.
What is the SMILES notation for 3-methyl-2,4-bis(phenyldiazenyl)phenol?
The canonical SMILES for 3-methyl-2,4-bis(phenyldiazenyl)phenol is Cc1c(/N=N/c2ccccc2)ccc(O)c1/N=N/c1ccccc1.
What is the InChIKey of 3-methyl-2,4-bis(phenyldiazenyl)phenol?
The InChIKey is KVIFHLKSVCIYTG-DQPVQCHKSA-N. The full InChI is InChI=1S/C19H16N4O/c1-14-17(22-20-15-8-4-2-5-9-15)12-13-18(24)19(14)23-21-16-10-6-3-7-11-16/h2-13,24H,1H3/b22-20+,23-21+.
What are the key properties of 3-methyl-2,4-bis(phenyldiazenyl)phenol?
3-methyl-2,4-bis(phenyldiazenyl)phenol has a molecular weight of 316.36 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-bis(phenyldiazenyl)phenol is sourced from PubChem (CID 165356991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).