3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one

C9H7FO2 — CID 91126584

IUPAC3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one
SMILESO=C=CCc1ccc(O)cc1F
InChIInChI=1S/C9H7FO2/c10-9-6-8(12)4-3-7(9)2-1-5-11/h1,3-4,6,12H,2H2
InChIKeyBARFMCOCIPSRQI-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.46
Rot. Bonds2

About 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one

3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one (PubChem CID 91126584) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one.

Molecular Properties

Compound Name3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one
PubChem CID91126584
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one
SMILESO=C=CCc1ccc(O)cc1F
InChIInChI=1S/C9H7FO2/c10-9-6-8(12)4-3-7(9)2-1-5-11/h1,3-4,6,12H,2H2
InChIKeyBARFMCOCIPSRQI-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one 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 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one?
The IUPAC name of 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one (CID 91126584) is 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one.
What is the SMILES notation for 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one?
The canonical SMILES for 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one is O=C=CCc1ccc(O)cc1F.
What is the InChIKey of 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one?
The InChIKey is BARFMCOCIPSRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c10-9-6-8(12)4-3-7(9)2-1-5-11/h1,3-4,6,12H,2H2.
What are the key properties of 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one?
3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one has a molecular weight of 166.15 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one is sourced from PubChem (CID 91126584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).