4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol

C15H14FNO3 — CID 174608926

IUPAC4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol
SMILESCCC(=NO)c1c(F)cccc1-c1ccc(O)cc1O
InChIInChI=1S/C15H14FNO3/c1-2-13(17-20)15-11(4-3-5-12(15)16)10-7-6-9(18)8-14(10)19/h3-8,18-20H,2H2,1H3
InChIKeyGHEXKJYILBDASL-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.49
Rot. Bonds3

About 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol

4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol (PubChem CID 174608926) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol
PubChem CID174608926
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol
SMILESCCC(=NO)c1c(F)cccc1-c1ccc(O)cc1O
InChIInChI=1S/C15H14FNO3/c1-2-13(17-20)15-11(4-3-5-12(15)16)10-7-6-9(18)8-14(10)19/h3-8,18-20H,2H2,1H3
InChIKeyGHEXKJYILBDASL-UHFFFAOYSA-N
XLogP3.49
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol (CID 174608926) is 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol is CCC(=NO)c1c(F)cccc1-c1ccc(O)cc1O.
What is the InChIKey of 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol?
The InChIKey is GHEXKJYILBDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-2-13(17-20)15-11(4-3-5-12(15)16)10-7-6-9(18)8-14(10)19/h3-8,18-20H,2H2,1H3.
What are the key properties of 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol?
4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol has a molecular weight of 275.28 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(C-ethyl-N-hydroxycarbonimidoyl)-3-fluorophenyl]benzene-1,3-diol is sourced from PubChem (CID 174608926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).