2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one

C11H9FO2 — CID 10965345

IUPAC2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1c1ccc(F)cc1
InChIInChI=1S/C11H9FO2/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-4,13H,5-6H2
InChIKeyBTDVEAGIYMENSW-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.46
Rot. Bonds1

About 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one

2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one (PubChem CID 10965345) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one
PubChem CID10965345
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1c1ccc(F)cc1
InChIInChI=1S/C11H9FO2/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-4,13H,5-6H2
InChIKeyBTDVEAGIYMENSW-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Fluorobenzoyl)propionic acid
CID 101359
8-Oxo-8-phenyloctanoic acid
CID 298878
4,7-Dioxo-7-phenylheptanoic acid
CID 80634
5-Benzoylpentanoic Acid
CID 223595
(5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid
CID 808194
3-(4-Fluorophenyl)propionic acid
CID 136302
7-Oxo-7-phenylheptanoic acid
CID 344830
3,4-Difluorohydrocinnamic acid
CID 2778994
3-Hydroxy-5-phenylcyclohex-2-en-1-one
CID 3258759
3-(2-Fluorophenyl)propanoic acid
CID 2063866
2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid
CID 125874
CID 11564993
CID 11564993

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one (CID 10965345) is 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one is O=C1CCC(O)=C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one?
The InChIKey is BTDVEAGIYMENSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-4,13H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one?
2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one has a molecular weight of 192.19 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 10965345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).