4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol

C22H21N3O — CID 137158226

IUPAC4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
SMILESCC(C)c1ccc(/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1
InChIInChI=1S/C22H21N3O/c1-16(2)17-8-10-19(11-9-17)23-15-18-14-21(12-13-22(18)26)25-24-20-6-4-3-5-7-20/h3-16,26H,1-2H3/b23-15+,25-24+
InChIKeyVDTGBKKKDXUOQL-DPWLSMTKSA-N
MW343.43 g/mol
LogP6.68
Rot. Bonds5

About 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol

4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol (PubChem CID 137158226) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
PubChem CID137158226
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
SMILESCC(C)c1ccc(/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1
InChIInChI=1S/C22H21N3O/c1-16(2)17-8-10-19(11-9-17)23-15-18-14-21(12-13-22(18)26)25-24-20-6-4-3-5-7-20/h3-16,26H,1-2H3/b23-15+,25-24+
InChIKeyVDTGBKKKDXUOQL-DPWLSMTKSA-N
XLogP6.68
TPSA57.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
CID 136823529
2-methanehydrazonoyl-4-phenyldiazenylphenol
CID 168531348
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol
CID 137071368
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol
CID 136745252
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol
CID 136790243
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
CID 135504378
2-[[4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]phenyl]diazenyl]benzoic acid
CID 136901151

Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The IUPAC name of 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol (CID 137158226) is 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol is CC(C)c1ccc(/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1.
What is the InChIKey of 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The InChIKey is VDTGBKKKDXUOQL-DPWLSMTKSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16(2)17-8-10-19(11-9-17)23-15-18-14-21(12-13-22(18)26)25-24-20-6-4-3-5-7-20/h3-16,26H,1-2H3/b23-15+,25-24+.
What are the key properties of 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol has a molecular weight of 343.43 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol is sourced from PubChem (CID 137158226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).