4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol

C21H19ClN2O2 — CID 143199925

IUPAC4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-19-8-11-21(25)18(12-19)14-24-23-13-16-6-9-20(10-7-16)26-15-17-4-2-1-3-5-17/h1-12,14,23,25H,13,15H2/b24-14+
InChIKeyGGTIQFRKIZLAAY-ZVHZXABRSA-N
MW366.85 g/mol
LogP4.75
Rot. Bonds7

About 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol

4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol (PubChem CID 143199925) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol
PubChem CID143199925
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-19-8-11-21(25)18(12-19)14-24-23-13-16-6-9-20(10-7-16)26-15-17-4-2-1-3-5-17/h1-12,14,23,25H,13,15H2/b24-14+
InChIKeyGGTIQFRKIZLAAY-ZVHZXABRSA-N
XLogP4.75
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.75
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-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol
CID 137316385
4-chloro-2-(5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 2888009
4-chloro-2-(5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 2936369
N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245918
1-(2,6-dichlorophenyl)-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 19060212
N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060229
1-(2,6-dichlorophenyl)-N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 19060247
N-[(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148132
1-(2,6-dichlorophenyl)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 92353451
N-[(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 92353468
1-(2,6-dichlorophenyl)-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 92353489
N-[(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 92658417

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol (CID 143199925) is 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol is Oc1ccc(Cl)cc1/C=N/NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol?
The InChIKey is GGTIQFRKIZLAAY-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-19-8-11-21(25)18(12-19)14-24-23-13-16-6-9-20(10-7-16)26-15-17-4-2-1-3-5-17/h1-12,14,23,25H,13,15H2/b24-14+.
What are the key properties of 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol?
4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol has a molecular weight of 366.85 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 143199925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).