7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid

C20H25FO4 — CID 70006942

IUPAC7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)CC(O)C1C=Cc1ccc(F)cc1
InChIInChI=1S/C20H25FO4/c21-15-10-7-14(8-11-15)9-12-17-16(18(22)13-19(17)23)5-3-1-2-4-6-20(24)25/h7-12,16-17,19,23H,1-6,13H2,(H,24,25)
InChIKeyGQGZLRZCAZMURZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.83
Rot. Bonds9

About 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid

7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid (PubChem CID 70006942) has the molecular formula C20H25FO4 and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
PubChem CID70006942
Molecular FormulaC20H25FO4
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)CC(O)C1C=Cc1ccc(F)cc1
InChIInChI=1S/C20H25FO4/c21-15-10-7-14(8-11-15)9-12-17-16(18(22)13-19(17)23)5-3-1-2-4-6-20(24)25/h7-12,16-17,19,23H,1-6,13H2,(H,24,25)
InChIKeyGQGZLRZCAZMURZ-UHFFFAOYSA-N
XLogP3.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid?
The IUPAC name of 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid (CID 70006942) is 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid?
The canonical SMILES for 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid is O=C(O)CCCCCCC1C(=O)CC(O)C1C=Cc1ccc(F)cc1.
What is the InChIKey of 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid?
The InChIKey is GQGZLRZCAZMURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO4/c21-15-10-7-14(8-11-15)9-12-17-16(18(22)13-19(17)23)5-3-1-2-4-6-20(24)25/h7-12,16-17,19,23H,1-6,13H2,(H,24,25).
What are the key properties of 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid?
7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid has a molecular weight of 348.41 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(4-fluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid is sourced from PubChem (CID 70006942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).