2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol

C15H15BrN2O2 — CID 135519998

IUPAC2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2cccc(C)c2)cc(Br)c1O
InChIInChI=1S/C15H15BrN2O2/c1-10-4-3-5-12(6-10)18-17-9-11-7-13(16)15(19)14(8-11)20-2/h3-9,18-19H,1-2H3/b17-9+
InChIKeyPOJOLOHJNYACKJ-RQZCQDPDSA-N
MW335.20 g/mol
LogP3.92
Rot. Bonds4

About 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol

2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol (PubChem CID 135519998) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
PubChem CID135519998
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2cccc(C)c2)cc(Br)c1O
InChIInChI=1S/C15H15BrN2O2/c1-10-4-3-5-12(6-10)18-17-9-11-7-13(16)15(19)14(8-11)20-2/h3-9,18-19H,1-2H3/b17-9+
InChIKeyPOJOLOHJNYACKJ-RQZCQDPDSA-N
XLogP3.92
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol (CID 135519998) is 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2cccc(C)c2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is POJOLOHJNYACKJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-4-3-5-12(6-10)18-17-9-11-7-13(16)15(19)14(8-11)20-2/h3-9,18-19H,1-2H3/b17-9+.
What are the key properties of 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol has a molecular weight of 335.20 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135519998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).