[1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate

C20H19FO3 — CID 164974517

IUPAC[1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate
SMILESC=Cc1ccc(O)c(C(=O)OC2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C20H19FO3/c1-2-14-5-10-18(22)17(13-14)19(23)24-20(11-3-4-12-20)15-6-8-16(21)9-7-15/h2,5-10,13,22H,1,3-4,11-12H2
InChIKeyCKCWBDQJDJHWNO-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.80
Rot. Bonds4

About [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate

[1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate (PubChem CID 164974517) has the molecular formula C20H19FO3 and a molecular weight of 326.37 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate
PubChem CID164974517
Molecular FormulaC20H19FO3
Molecular Weight326.37 g/mol
Exact Mass326.13
IUPAC Name[1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate
SMILESC=Cc1ccc(O)c(C(=O)OC2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C20H19FO3/c1-2-14-5-10-18(22)17(13-14)19(23)24-20(11-3-4-12-20)15-6-8-16(21)9-7-15/h2,5-10,13,22H,1,3-4,11-12H2
InChIKeyCKCWBDQJDJHWNO-UHFFFAOYSA-N
XLogP4.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate?
The IUPAC name of [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate (CID 164974517) is [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate?
The canonical SMILES for [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate is C=Cc1ccc(O)c(C(=O)OC2(c3ccc(F)cc3)CCCC2)c1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate?
The InChIKey is CKCWBDQJDJHWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO3/c1-2-14-5-10-18(22)17(13-14)19(23)24-20(11-3-4-12-20)15-6-8-16(21)9-7-15/h2,5-10,13,22H,1,3-4,11-12H2.
What are the key properties of [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate?
[1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate has a molecular weight of 326.37 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate is sourced from PubChem (CID 164974517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).