2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid

C19H19FO3 — CID 18922350

IUPAC2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H19FO3/c20-15-8-6-14(7-9-15)18-16(19(21)22)10-11-17(18)23-12-13-4-2-1-3-5-13/h1-9,16-18H,10-12H2,(H,21,22)
InChIKeyRETSRWJPALDZDT-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid

2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid (PubChem CID 18922350) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid
PubChem CID18922350
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Name2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H19FO3/c20-15-8-6-14(7-9-15)18-16(19(21)22)10-11-17(18)23-12-13-4-2-1-3-5-13/h1-9,16-18H,10-12H2,(H,21,22)
InChIKeyRETSRWJPALDZDT-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid (CID 18922350) is 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid is O=C(O)C1CCC(OCc2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid?
The InChIKey is RETSRWJPALDZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3/c20-15-8-6-14(7-9-15)18-16(19(21)22)10-11-17(18)23-12-13-4-2-1-3-5-13/h1-9,16-18H,10-12H2,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid?
2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 18922350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).