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

C15H16BrClN2O2 — CID 135520004

IUPAC2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride
SMILESCOc1cc(/C=N/Nc2ccc(C)cc2)cc(Br)c1O.Cl
InChIInChI=1S/C15H15BrN2O2.ClH/c1-10-3-5-12(6-4-10)18-17-9-11-7-13(16)15(19)14(8-11)20-2;/h3-9,18-19H,1-2H3;1H/b17-9+;
InChIKeyYSIISRCGXGRKFH-WWIHJBQESA-N
MW371.66 g/mol
LogP4.34
Rot. Bonds4

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

2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride (PubChem CID 135520004) has the molecular formula C15H16BrClN2O2 and a molecular weight of 371.66 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride
PubChem CID135520004
Molecular FormulaC15H16BrClN2O2
Molecular Weight371.66 g/mol
Exact Mass370.01
IUPAC Name2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride
SMILESCOc1cc(/C=N/Nc2ccc(C)cc2)cc(Br)c1O.Cl
InChIInChI=1S/C15H15BrN2O2.ClH/c1-10-3-5-12(6-4-10)18-17-9-11-7-13(16)15(19)14(8-11)20-2;/h3-9,18-19H,1-2H3;1H/b17-9+;
InChIKeyYSIISRCGXGRKFH-WWIHJBQESA-N
XLogP4.34
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.34
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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Related Compounds

4-Hydroxy-3-methoxybenzaldehyde phenylhydrazone
CID 135684904
p-Anisaldehyde, 3-hydroxy-, (p-bromophenyl)hydrazone
CID 9570449
2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135433198
2-bromo-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510347
5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9784772
2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135519998
4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135775367
1-Piperazineacetic acid, 4-phenyl-, ((3-bromo-5-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588026
3-Hydroxy-4-methoxybenzaldehyde phenylhydrazone
CID 5339689
1-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 135713483
2-Methoxy-4-(2-phenylhydrazono)methyl phenol
CID 4388383
3-Bromo-5-hydroxy-4-methoxybenzaldehyde N-phenylsemicarbazone
CID 9658448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride?
The IUPAC name of 2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride (CID 135520004) is 2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride?
The canonical SMILES for 2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride is COc1cc(/C=N/Nc2ccc(C)cc2)cc(Br)c1O.Cl.
What is the InChIKey of 2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride?
The InChIKey is YSIISRCGXGRKFH-WWIHJBQESA-N. The full InChI is InChI=1S/C15H15BrN2O2.ClH/c1-10-3-5-12(6-4-10)18-17-9-11-7-13(16)15(19)14(8-11)20-2;/h3-9,18-19H,1-2H3;1H/b17-9+;.
What are the key properties of 2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride?
2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride has a molecular weight of 371.66 g/mol, XLogP of 4.34, 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)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride is sourced from PubChem (CID 135520004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).