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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Related Compounds

(+/-)-trans-3-(3,5-Bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentanecarboxylic acid
CID 44415423
((3aR,4R,5R,6aS)-4-((E,3S)-3-hydroxy-5-phenylpent-1-enyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta(b)furan-5-yl) benzoate
CID 10201368
methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate
CID 10966553
methyl (1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 16087721
ethyl (1R,5S)-6-fluoro-3-phenylmethoxybicyclo[3.1.0]hexane-6-carboxylate
CID 11196702
(3aR,4S,5S,6R,6aR)-6-fluoro-5-hydroxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 134934449
(3aR,4S,5R,6R,6aR)-5-fluoro-6-hydroxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 134934450
6-Heptenoic acid, 4,5-bis(phenylmethoxy)-, (4R,5R)-
CID 11267811
methyl 3-hydroxy-2-[(1R,2S,3S)-2-hydroxy-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentyl]-3-methyl-5-phenylpentanoate
CID 390948
(E)-7-[(5S,6R)-4-(4-fluorophenyl)-6-(phenylmethoxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
CID 44266675
(E)-7-[(5R,6S)-4-(4-fluorophenyl)-6-(phenylmethoxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
CID 44266741
benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
CID 15939709

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).