4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride

C13H12Cl2N2O — CID 136666048

IUPAC4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(C=NNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11ClN2O.ClH/c14-11-3-5-12(6-4-11)16-15-9-10-1-7-13(17)8-2-10;/h1-9,16-17H;1H
InChIKeyCWTZJUPPCCHBLD-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.91
Rot. Bonds3

About 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride

4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride (PubChem CID 136666048) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
PubChem CID136666048
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(C=NNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11ClN2O.ClH/c14-11-3-5-12(6-4-11)16-15-9-10-1-7-13(17)8-2-10;/h1-9,16-17H;1H
InChIKeyCWTZJUPPCCHBLD-UHFFFAOYSA-N
XLogP3.91
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135824362
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
CID 110506082
N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline
CID 167431722
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride?
The IUPAC name of 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride (CID 136666048) is 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride.
What is the SMILES notation for 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride?
The canonical SMILES for 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride is Cl.Oc1ccc(C=NNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride?
The InChIKey is CWTZJUPPCCHBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O.ClH/c14-11-3-5-12(6-4-11)16-15-9-10-1-7-13(17)8-2-10;/h1-9,16-17H;1H.
What are the key properties of 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride?
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride has a molecular weight of 283.16 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride is sourced from PubChem (CID 136666048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).