(1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid

C19H19FO3 — CID 22885759

IUPAC(1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](OCc2ccccc2)[C@@H]1c1ccc(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)/t16-,17+,18+/m0/s1
InChIKeyRETSRWJPALDZDT-RCCFBDPRSA-N
MW314.36 g/mol
LogP3.99
Rot. Bonds5

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

(1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid (PubChem CID 22885759) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is (1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid
PubChem CID22885759
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Name(1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](OCc2ccccc2)[C@@H]1c1ccc(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)/t16-,17+,18+/m0/s1
InChIKeyRETSRWJPALDZDT-RCCFBDPRSA-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 (1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid?
The IUPAC name of (1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid (CID 22885759) is (1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](OCc2ccccc2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid?
The InChIKey is RETSRWJPALDZDT-RCCFBDPRSA-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)/t16-,17+,18+/m0/s1.
What are the key properties of (1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid?
(1S,2S,3R)-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 (1S,2S,3R)-2-(4-fluorophenyl)-3-phenylmethoxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 22885759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).