4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

C13H9Cl3N2O — CID 2841375

IUPAC4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H9Cl3N2O/c14-9-5-11(15)13(12(16)6-9)18-17-7-8-1-3-10(19)4-2-8/h1-7,18-19H
InChIKeyJPKNJIWZTHAODX-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.80
Rot. Bonds3

About 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 2841375) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
PubChem CID2841375
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H9Cl3N2O/c14-9-5-11(15)13(12(16)6-9)18-17-7-8-1-3-10(19)4-2-8/h1-7,18-19H
InChIKeyJPKNJIWZTHAODX-UHFFFAOYSA-N
XLogP4.80
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.80
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

2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6050977
2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline
CID 5223162
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile
CID 4231773
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 4316664
4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136705021
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol;4-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 173032532
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136932712

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (CID 2841375) is 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is Oc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is JPKNJIWZTHAODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-9-5-11(15)13(12(16)6-9)18-17-7-8-1-3-10(19)4-2-8/h1-7,18-19H.
What are the key properties of 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 315.59 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 2841375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).