1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione

C15H11FO4 — CID 132597938

IUPAC1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione
SMILESO=C(C(=O)C(O)c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FO4/c16-11-5-1-9(2-6-11)13(18)15(20)14(19)10-3-7-12(17)8-4-10/h1-8,14,17,19H
InChIKeyNHMVMLNCBDWTPI-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione

1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione (PubChem CID 132597938) has the molecular formula C15H11FO4 and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione
PubChem CID132597938
Molecular FormulaC15H11FO4
Molecular Weight274.25 g/mol
Exact Mass274.06
IUPAC Name1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione
SMILESO=C(C(=O)C(O)c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FO4/c16-11-5-1-9(2-6-11)13(18)15(20)14(19)10-3-7-12(17)8-4-10/h1-8,14,17,19H
InChIKeyNHMVMLNCBDWTPI-UHFFFAOYSA-N
XLogP2.02
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
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CID 67037635
2-(4-fluorophenyl)-2-oxoacetyl chloride
CID 20638620
N-[3-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxopropyl]acetamide
CID 44561095
1-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-hydroxyethanone
CID 54204893
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide
CID 97191743
N-cyclopropyl-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 82126665

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione (CID 132597938) is 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione is O=C(C(=O)C(O)c1ccc(O)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione?
The InChIKey is NHMVMLNCBDWTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO4/c16-11-5-1-9(2-6-11)13(18)15(20)14(19)10-3-7-12(17)8-4-10/h1-8,14,17,19H.
What are the key properties of 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione?
1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione has a molecular weight of 274.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propane-1,2-dione is sourced from PubChem (CID 132597938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).