4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol

C20H18N2O — CID 135676326

IUPAC4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol
SMILESC/C(=N\N(c1ccccc1)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H18N2O/c1-16(17-12-14-20(23)15-13-17)21-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,1H3/b21-16+
InChIKeyHDRRMKZWEDGXQP-LTGZKZEYSA-N
MW302.38 g/mol
LogP4.95
Rot. Bonds4

About 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol

4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol (PubChem CID 135676326) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol
PubChem CID135676326
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol
SMILESC/C(=N\N(c1ccccc1)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H18N2O/c1-16(17-12-14-20(23)15-13-17)21-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,1H3/b21-16+
InChIKeyHDRRMKZWEDGXQP-LTGZKZEYSA-N
XLogP4.95
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol?
The IUPAC name of 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol (CID 135676326) is 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol is C/C(=N\N(c1ccccc1)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol?
The InChIKey is HDRRMKZWEDGXQP-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-16(17-12-14-20(23)15-13-17)21-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,1H3/b21-16+.
What are the key properties of 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol?
4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol has a molecular weight of 302.38 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]phenol is sourced from PubChem (CID 135676326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).