2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol

C14H13BrN2O2 — CID 135684891

IUPAC2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2)cc(Br)c1O
InChIInChI=1S/C14H13BrN2O2/c1-19-13-8-10(7-12(15)14(13)18)9-16-17-11-5-3-2-4-6-11/h2-9,17-18H,1H3/b16-9+
InChIKeyZUHSGDFHVUZADS-CXUHLZMHSA-N
MW321.17 g/mol
LogP3.61
Rot. Bonds4

About 2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol

2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 135684891) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol
PubChem CID135684891
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2)cc(Br)c1O
InChIInChI=1S/C14H13BrN2O2/c1-19-13-8-10(7-12(15)14(13)18)9-16-17-11-5-3-2-4-6-11/h2-9,17-18H,1H3/b16-9+
InChIKeyZUHSGDFHVUZADS-CXUHLZMHSA-N
XLogP3.61
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.61
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
N-Phenyl-N'-(3,4-dimethoxybenzylidene) hydrazine
CID 9601291
2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135433198
2-bromo-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510347
2-bromo-6-{(E)-[2-(3-methoxyphenyl)hydrazinylidene]methyl}phenol
CID 135635745
5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9784772
2-bromo-6-methoxy-4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135519998
2-bromo-6-methoxy-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 135520004
4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135775367
Piperonal, (p-bromophenyl)hydrazone
CID 9578588
1-Piperazineacetic acid, 4-phenyl-, ((3-bromo-5-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588026

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol (CID 135684891) is 2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol is COc1cc(/C=N/Nc2ccccc2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is ZUHSGDFHVUZADS-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-13-8-10(7-12(15)14(13)18)9-16-17-11-5-3-2-4-6-11/h2-9,17-18H,1H3/b16-9+.
What are the key properties of 2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol?
2-bromo-6-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenol has a molecular weight of 321.17 g/mol, XLogP of 3.61, 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)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135684891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).