2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol

C18H20N2O2 — CID 135873523

IUPAC2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol
SMILESC/C(=N/N=C(\C)c1ccc(C)cc1O)c1ccc(C)cc1O
InChIInChI=1S/C18H20N2O2/c1-11-5-7-15(17(21)9-11)13(3)19-20-14(4)16-8-6-12(2)10-18(16)22/h5-10,21-22H,1-4H3/b19-13-,20-14+
InChIKeyOSXHKTJNIGJSKW-LRVMPXQBSA-N
MW296.37 g/mol
LogP3.95
Rot. Bonds3

About 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol

2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol (PubChem CID 135873523) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol
PubChem CID135873523
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol
SMILESC/C(=N/N=C(\C)c1ccc(C)cc1O)c1ccc(C)cc1O
InChIInChI=1S/C18H20N2O2/c1-11-5-7-15(17(21)9-11)13(3)19-20-14(4)16-8-6-12(2)10-18(16)22/h5-10,21-22H,1-4H3/b19-13-,20-14+
InChIKeyOSXHKTJNIGJSKW-LRVMPXQBSA-N
XLogP3.95
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol?
The IUPAC name of 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol (CID 135873523) is 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol.
What is the SMILES notation for 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol?
The canonical SMILES for 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol is C/C(=N/N=C(\C)c1ccc(C)cc1O)c1ccc(C)cc1O.
What is the InChIKey of 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol?
The InChIKey is OSXHKTJNIGJSKW-LRVMPXQBSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-5-7-15(17(21)9-11)13(3)19-20-14(4)16-8-6-12(2)10-18(16)22/h5-10,21-22H,1-4H3/b19-13-,20-14+.
What are the key properties of 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol?
2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol has a molecular weight of 296.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-[(E)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-methylphenol is sourced from PubChem (CID 135873523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).