4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

C15H14F2N2O3 — CID 135401260

IUPAC4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2ccc(F)cc2F)cc(OC)c1O
InChIInChI=1S/C15H14F2N2O3/c1-21-13-5-9(6-14(22-2)15(13)20)8-18-19-12-4-3-10(16)7-11(12)17/h3-8,19-20H,1-2H3/b18-8+
InChIKeyCTCQKFMVJCBTET-QGMBQPNBSA-N
MW308.28 g/mol
LogP3.13
Rot. Bonds5

About 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 135401260) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID135401260
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2ccc(F)cc2F)cc(OC)c1O
InChIInChI=1S/C15H14F2N2O3/c1-21-13-5-9(6-14(22-2)15(13)20)8-18-19-12-4-3-10(16)7-11(12)17/h3-8,19-20H,1-2H3/b18-8+
InChIKeyCTCQKFMVJCBTET-QGMBQPNBSA-N
XLogP3.13
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-5-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 9599642
2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135520006
4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135679290
p-Anisaldehyde, 3-hydroxy-, (p-bromophenyl)hydrazone
CID 9570449
N-Phenyl-N'-(3,4-dimethoxybenzylidene) hydrazine
CID 9601291
2,4-difluoro-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 9646526
2-methoxy-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135433198
2-fluoro-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510346
2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135520001
4-Hydroxy-3-methoxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135472427
5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9784772

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 135401260) is 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is COc1cc(/C=N/Nc2ccc(F)cc2F)cc(OC)c1O.
What is the InChIKey of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is CTCQKFMVJCBTET-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-21-13-5-9(6-14(22-2)15(13)20)8-18-19-12-4-3-10(16)7-11(12)17/h3-8,19-20H,1-2H3/b18-8+.
What are the key properties of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 308.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135401260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).