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

C15H15FN2O3 — CID 135609383

IUPAC4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2ccc(F)cc2)cc(OC)c1O
InChIInChI=1S/C15H15FN2O3/c1-20-13-7-10(8-14(21-2)15(13)19)9-17-18-12-5-3-11(16)4-6-12/h3-9,18-19H,1-2H3/b17-9+
InChIKeyVALNRTRONAEAQK-RQZCQDPDSA-N
MW290.29 g/mol
LogP2.99
Rot. Bonds5

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

4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 135609383) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID135609383
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2ccc(F)cc2)cc(OC)c1O
InChIInChI=1S/C15H15FN2O3/c1-20-13-7-10(8-14(21-2)15(13)19)9-17-18-12-5-3-11(16)4-6-12/h3-9,18-19H,1-2H3/b17-9+
InChIKeyVALNRTRONAEAQK-RQZCQDPDSA-N
XLogP2.99
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 135609383) is 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is COc1cc(/C=N/Nc2ccc(F)cc2)cc(OC)c1O.
What is the InChIKey of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is VALNRTRONAEAQK-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-20-13-7-10(8-14(21-2)15(13)19)9-17-18-12-5-3-11(16)4-6-12/h3-9,18-19H,1-2H3/b17-9+.
What are the key properties of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 290.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135609383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).