4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol

C14H13FN2O2 — CID 135775367

IUPAC4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C14H13FN2O2/c1-19-14-8-10(2-7-13(14)18)9-16-17-12-5-3-11(15)4-6-12/h2-9,17-18H,1H3/b16-9+
InChIKeyVSGPSYDEYPXHFA-CXUHLZMHSA-N
MW260.27 g/mol
LogP2.99
Rot. Bonds4

About 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol

4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 135775367) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID135775367
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C14H13FN2O2/c1-19-14-8-10(2-7-13(14)18)9-16-17-12-5-3-11(15)4-6-12/h2-9,17-18H,1H3/b16-9+
InChIKeyVSGPSYDEYPXHFA-CXUHLZMHSA-N
XLogP2.99
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol (CID 135775367) is 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(/C=N/Nc2ccc(F)cc2)ccc1O.
What is the InChIKey of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is VSGPSYDEYPXHFA-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-14-8-10(2-7-13(14)18)9-16-17-12-5-3-11(15)4-6-12/h2-9,17-18H,1H3/b16-9+.
What are the key properties of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol?
4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 260.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 135775367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).