2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol

C14H13FN2O2 — CID 135736163

IUPAC2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol
SMILESOc1ccccc1CN/N=C/c1cccc(F)c1O
InChIInChI=1S/C14H13FN2O2/c15-12-6-3-5-11(14(12)19)9-17-16-8-10-4-1-2-7-13(10)18/h1-7,9,16,18-19H,8H2/b17-9+
InChIKeySPQNMZXASDPUIQ-RQZCQDPDSA-N
MW260.27 g/mol
LogP2.36
Rot. Bonds4

About 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol

2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol (PubChem CID 135736163) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol
PubChem CID135736163
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol
SMILESOc1ccccc1CN/N=C/c1cccc(F)c1O
InChIInChI=1S/C14H13FN2O2/c15-12-6-3-5-11(14(12)19)9-17-16-8-10-4-1-2-7-13(10)18/h1-7,9,16,18-19H,8H2/b17-9+
InChIKeySPQNMZXASDPUIQ-RQZCQDPDSA-N
XLogP2.36
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', '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 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol?
The IUPAC name of 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol (CID 135736163) is 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol is Oc1ccccc1CN/N=C/c1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol?
The InChIKey is SPQNMZXASDPUIQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-6-3-5-11(14(12)19)9-17-16-8-10-4-1-2-7-13(10)18/h1-7,9,16,18-19H,8H2/b17-9+.
What are the key properties of 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol?
2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol has a molecular weight of 260.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 135736163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).