2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol

C14H13BrN2O2 — CID 135635745

IUPAC2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(N/N=C/c2cccc(Br)c2O)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-12-6-3-5-11(8-12)17-16-9-10-4-2-7-13(15)14(10)18/h2-9,17-18H,1H3/b16-9+
InChIKeyPMIPVTUVXOELPQ-CXUHLZMHSA-N
MW321.17 g/mol
LogP3.61
Rot. Bonds4

About 2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol

2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol (PubChem CID 135635745) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol
PubChem CID135635745
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(N/N=C/c2cccc(Br)c2O)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-12-6-3-5-11(8-12)17-16-9-10-4-2-7-13(15)14(10)18/h2-9,17-18H,1H3/b16-9+
InChIKeyPMIPVTUVXOELPQ-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_A(479)', '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

2-bromo-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510347
p-Anisaldehyde, (p-bromophenyl)hydrazone
CID 9570448
2,4-dibromo-6-[(E)-(2-phenylhydrazinylidene)methyl]phenol
CID 135589407
p-Anisaldehyde, (m-bromophenyl)hydrazone
CID 9570450
Benzaldehyde, o-ethoxy-, (p-bromophenyl)hydrazone
CID 9578602
5-Bromo-2-hydroxybenzaldehyde phenylhydrazone
CID 135579027
4-bromo-2-((E)-{[3-(trifluoromethoxy)phenyl]imino}methyl)phenol
CID 135657402
2-bromo-6-[(E)-(phenylhydrazono)methyl]phenol
CID 137100862
4-bromo-2-{(E)-[(3-methoxyphenyl)imino]methyl}phenol
CID 693276
4-Bromo-2-[(phenylhydrazinylidene)methyl]phenol
CID 271520
4-bromo-2-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135478702
3-Bromo-4-hydroxy-5-methoxybenzaldehyde phenylhydrazone
CID 135684891

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol (CID 135635745) is 2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol is COc1cccc(N/N=C/c2cccc(Br)c2O)c1.
What is the InChIKey of 2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is PMIPVTUVXOELPQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-12-6-3-5-11(8-12)17-16-9-10-4-2-7-13(15)14(10)18/h2-9,17-18H,1H3/b16-9+.
What are the key properties of 2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol?
2-bromo-6-[(E)-[(3-methoxyphenyl)hydrazinylidene]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-[(E)-[(3-methoxyphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135635745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).