2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol

C20H18N2O — CID 136704880

IUPAC2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(=N\Nc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O/c1-15-12-13-19(23)18(14-15)20(16-8-4-2-5-9-16)22-21-17-10-6-3-7-11-17/h2-14,21,23H,1H3/b22-20-
InChIKeyOSQLYCRVBMLHEG-XDOYNYLZSA-N
MW302.38 g/mol
LogP4.57
Rot. Bonds4

About 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol

2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol (PubChem CID 136704880) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol
PubChem CID136704880
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(=N\Nc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O/c1-15-12-13-19(23)18(14-15)20(16-8-4-2-5-9-16)22-21-17-10-6-3-7-11-17/h2-14,21,23H,1H3/b22-20-
InChIKeyOSQLYCRVBMLHEG-XDOYNYLZSA-N
XLogP4.57
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881
2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4-methylphenol
CID 136704879
N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
2-[(Z)-N-anilino-C-[(11Z)-11-(2-hydroxy-4-methylphenyl)-11-(phenylhydrazinylidene)undecyl]carbonimidoyl]-5-methylphenol
CID 136886923
N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
CID 59951194
4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline
CID 177388394
4-[(E)-N-anilino-C-phenylcarbonimidoyl]-2,6-ditert-butylphenol
CID 135598899
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
2-(2-hydroxy-5-methylphenyl)-2-phenylethenone
CID 89322501
2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol
CID 3674808
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol
CID 135903575

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol?
The IUPAC name of 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol (CID 136704880) is 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol.
What is the SMILES notation for 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol?
The canonical SMILES for 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol is Cc1ccc(O)c(/C(=N\Nc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol?
The InChIKey is OSQLYCRVBMLHEG-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-12-13-19(23)18(14-15)20(16-8-4-2-5-9-16)22-21-17-10-6-3-7-11-17/h2-14,21,23H,1H3/b22-20-.
What are the key properties of 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol?
2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol has a molecular weight of 302.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol is sourced from PubChem (CID 136704880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).