(1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol

C24H28FNO2 — CID 122181061

IUPAC(1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H28FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,12,22-24,27H,10-11,13-17H2/t22-,23+,24+/m0/s1
InChIKeyWYGYLMVTFOCJJD-RBZQAINGSA-N
MW381.49 g/mol
LogP4.41
Rot. Bonds5

About (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol

(1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol (PubChem CID 122181061) has the molecular formula C24H28FNO2 and a molecular weight of 381.49 g/mol. Its IUPAC name is (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol
PubChem CID122181061
Molecular FormulaC24H28FNO2
Molecular Weight381.49 g/mol
Exact Mass381.21
IUPAC Name(1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H28FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,12,22-24,27H,10-11,13-17H2/t22-,23+,24+/m0/s1
InChIKeyWYGYLMVTFOCJJD-RBZQAINGSA-N
XLogP4.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol (CID 122181061) is (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol is O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol?
The InChIKey is WYGYLMVTFOCJJD-RBZQAINGSA-N. The full InChI is InChI=1S/C24H28FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,12,22-24,27H,10-11,13-17H2/t22-,23+,24+/m0/s1.
What are the key properties of (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol?
(1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol has a molecular weight of 381.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 122181061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).