4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol

C15H14FNO2 — CID 135908095

IUPAC4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol
SMILESOc1ccc(CC/N=C/c2cc(F)ccc2O)cc1
InChIInChI=1S/C15H14FNO2/c16-13-3-6-15(19)12(9-13)10-17-8-7-11-1-4-14(18)5-2-11/h1-6,9-10,18-19H,7-8H2/b17-10+
InChIKeyFEOPHJJMULHJRT-LICLKQGHSA-N
MW259.28 g/mol
LogP2.90
Rot. Bonds4

About 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol

4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol (PubChem CID 135908095) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol
PubChem CID135908095
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol
SMILESOc1ccc(CC/N=C/c2cc(F)ccc2O)cc1
InChIInChI=1S/C15H14FNO2/c16-13-3-6-15(19)12(9-13)10-17-8-7-11-1-4-14(18)5-2-11/h1-6,9-10,18-19H,7-8H2/b17-10+
InChIKeyFEOPHJJMULHJRT-LICLKQGHSA-N
XLogP2.90
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol?
The IUPAC name of 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol (CID 135908095) is 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol?
The canonical SMILES for 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol is Oc1ccc(CC/N=C/c2cc(F)ccc2O)cc1.
What is the InChIKey of 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol?
The InChIKey is FEOPHJJMULHJRT-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-3-6-15(19)12(9-13)10-17-8-7-11-1-4-14(18)5-2-11/h1-6,9-10,18-19H,7-8H2/b17-10+.
What are the key properties of 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol?
4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol has a molecular weight of 259.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(4-hydroxyphenyl)ethyliminomethyl]phenol is sourced from PubChem (CID 135908095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).