2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C15H13F3N2O2 — CID 135433198

IUPAC2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2C(F)(F)F)ccc1O
InChIInChI=1S/C15H13F3N2O2/c1-22-14-8-10(6-7-13(14)21)9-19-20-12-5-3-2-4-11(12)15(16,17)18/h2-9,20-21H,1H3/b19-9+
InChIKeyXTVDFYVFRWZDRL-DJKKODMXSA-N
MW310.28 g/mol
LogP3.87
Rot. Bonds4

About 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 135433198) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID135433198
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2C(F)(F)F)ccc1O
InChIInChI=1S/C15H13F3N2O2/c1-22-14-8-10(6-7-13(14)21)9-19-20-12-5-3-2-4-11(12)15(16,17)18/h2-9,20-21H,1H3/b19-9+
InChIKeyXTVDFYVFRWZDRL-DJKKODMXSA-N
XLogP3.87
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.87
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

4-Hydroxy-3-methoxybenzaldehyde phenylhydrazone
CID 135684904
2-Methoxy-6-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 135623990
2-Methoxy-alpha-(4-methoxyphenylimino)-para-cresol
CID 681370
2-Methoxy-5-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 9599642
5-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9655904
4-(Diphenyl-hydrazonomethyl)-2-methoxy-phenol
CID 135444096
p-Anisaldehyde, 3-hydroxy-, (p-bromophenyl)hydrazone
CID 9570449
N-Phenyl-N'-(3,4-dimethoxybenzylidene) hydrazine
CID 9601291
2-methoxy-5-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 9625365
2,4-difluoro-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 9646526
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 135401260
(4E)-2-methoxy-4-[(2-methyl-2-phenylhydrazinyl)methylidene]cyclohexa-2,5-dien-1-one
CID 135458875

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 135433198) is 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2ccccc2C(F)(F)F)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is XTVDFYVFRWZDRL-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-22-14-8-10(6-7-13(14)21)9-19-20-12-5-3-2-4-11(12)15(16,17)18/h2-9,20-21H,1H3/b19-9+.
What are the key properties of 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 310.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135433198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).