4-chloro-5-methyl-2-phenyldiazenylphenol

C13H11ClN2O — CID 135930261

IUPAC4-chloro-5-methyl-2-phenyldiazenylphenol
SMILESCc1cc(O)c(/N=N/c2ccccc2)cc1Cl
InChIInChI=1S/C13H11ClN2O/c1-9-7-13(17)12(8-11(9)14)16-15-10-5-3-2-4-6-10/h2-8,17H,1H3/b16-15+
InChIKeyPLZWRFMDTAUQNH-FOCLMDBBSA-N
MW246.70 g/mol
LogP4.77
Rot. Bonds2

About 4-chloro-5-methyl-2-phenyldiazenylphenol

4-chloro-5-methyl-2-phenyldiazenylphenol (PubChem CID 135930261) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-phenyldiazenylphenol.

Molecular Properties

Compound Name4-chloro-5-methyl-2-phenyldiazenylphenol
PubChem CID135930261
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name4-chloro-5-methyl-2-phenyldiazenylphenol
SMILESCc1cc(O)c(/N=N/c2ccccc2)cc1Cl
InChIInChI=1S/C13H11ClN2O/c1-9-7-13(17)12(8-11(9)14)16-15-10-5-3-2-4-6-10/h2-8,17H,1H3/b16-15+
InChIKeyPLZWRFMDTAUQNH-FOCLMDBBSA-N
XLogP4.77
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 54.77
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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Related Compounds

4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
2-phenyldiazenylphenol
CID 16897
(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
CID 3578467
2-methyl-4-phenyldiazenylbenzene-1,3-diol
CID 151351632
2,6-dimethyl-3-phenyldiazenylphenol
CID 90731242
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
3,4-dichloro-6-phenyldiazenylphthalic acid
CID 87166121
3-methyl-2,4-bis(phenyldiazenyl)phenol
CID 165356991
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911
2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol
CID 5107707
4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol
CID 141107541

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-phenyldiazenylphenol?
The IUPAC name of 4-chloro-5-methyl-2-phenyldiazenylphenol (CID 135930261) is 4-chloro-5-methyl-2-phenyldiazenylphenol.
What is the SMILES notation for 4-chloro-5-methyl-2-phenyldiazenylphenol?
The canonical SMILES for 4-chloro-5-methyl-2-phenyldiazenylphenol is Cc1cc(O)c(/N=N/c2ccccc2)cc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-phenyldiazenylphenol?
The InChIKey is PLZWRFMDTAUQNH-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-7-13(17)12(8-11(9)14)16-15-10-5-3-2-4-6-10/h2-8,17H,1H3/b16-15+.
What are the key properties of 4-chloro-5-methyl-2-phenyldiazenylphenol?
4-chloro-5-methyl-2-phenyldiazenylphenol has a molecular weight of 246.70 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-phenyldiazenylphenol is sourced from PubChem (CID 135930261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).