2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol

C15H14BrClN2O2 — CID 137075508

IUPAC2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cc(/C=N\NCc2ccc(Cl)cc2)cc(Br)c1O
InChIInChI=1S/C15H14BrClN2O2/c1-21-14-7-11(6-13(16)15(14)20)9-19-18-8-10-2-4-12(17)5-3-10/h2-7,9,18,20H,8H2,1H3/b19-9-
InChIKeyYSALVRZDAZEALS-OCKHKDLRSA-N
MW369.65 g/mol
LogP3.94
Rot. Bonds5

About 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol

2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 137075508) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol
PubChem CID137075508
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cc(/C=N\NCc2ccc(Cl)cc2)cc(Br)c1O
InChIInChI=1S/C15H14BrClN2O2/c1-21-14-7-11(6-13(16)15(14)20)9-19-18-8-10-2-4-12(17)5-3-10/h2-7,9,18,20H,8H2,1H3/b19-9-
InChIKeyYSALVRZDAZEALS-OCKHKDLRSA-N
XLogP3.94
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.94
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

N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 136847021
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945077
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245640
2-(4-chlorophenyl)-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 136789448
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 137122722
4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136727524
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135683422
4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136822584
4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol
CID 136704588
[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135804345
8-[(2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-5H-purin-9-ium-2,6-dione
CID 136817615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol (CID 137075508) is 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol is COc1cc(/C=N\NCc2ccc(Cl)cc2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is YSALVRZDAZEALS-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-21-14-7-11(6-13(16)15(14)20)9-19-18-8-10-2-4-12(17)5-3-10/h2-7,9,18,20H,8H2,1H3/b19-9-.
What are the key properties of 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol?
2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 369.65 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 137075508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).