5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol

C15H14FNO2 — CID 135703128

IUPAC5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol
SMILESCCc1ccc(/C(=N/O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C15H14FNO2/c1-2-10-3-8-13(14(18)9-10)15(17-19)11-4-6-12(16)7-5-11/h3-9,18-19H,2H2,1H3/b17-15+
InChIKeyRNAPCXODYKNWKT-BMRADRMJSA-N
MW259.28 g/mol
LogP3.32
Rot. Bonds3

About 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol

5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol (PubChem CID 135703128) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol.

Molecular Properties

Compound Name5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol
PubChem CID135703128
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol
SMILESCCc1ccc(/C(=N/O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C15H14FNO2/c1-2-10-3-8-13(14(18)9-10)15(17-19)11-4-6-12(16)7-5-11/h3-9,18-19H,2H2,1H3/b17-15+
InChIKeyRNAPCXODYKNWKT-BMRADRMJSA-N
XLogP3.32
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol?
The IUPAC name of 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol (CID 135703128) is 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol.
What is the SMILES notation for 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol?
The canonical SMILES for 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol is CCc1ccc(/C(=N/O)c2ccc(F)cc2)c(O)c1.
What is the InChIKey of 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol?
The InChIKey is RNAPCXODYKNWKT-BMRADRMJSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-2-10-3-8-13(14(18)9-10)15(17-19)11-4-6-12(16)7-5-11/h3-9,18-19H,2H2,1H3/b17-15+.
What are the key properties of 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol?
5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol has a molecular weight of 259.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]phenol is sourced from PubChem (CID 135703128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).