(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol

C23H25NO2 — CID 100856123

IUPAC(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
SMILESO[C@@H](COc1cccc2ccccc12)CN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H25NO2/c25-21(16-24-14-13-20(15-24)18-7-2-1-3-8-18)17-26-23-12-6-10-19-9-4-5-11-22(19)23/h1-12,20-21,25H,13-17H2/t20-,21-/m1/s1
InChIKeyOWLWGTWFFKUJNX-NHCUHLMSSA-N
MW347.46 g/mol
LogP4.07
Rot. Bonds6

About (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol

(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol (PubChem CID 100856123) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
PubChem CID100856123
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
SMILESO[C@@H](COc1cccc2ccccc12)CN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H25NO2/c25-21(16-24-14-13-20(15-24)18-7-2-1-3-8-18)17-26-23-12-6-10-19-9-4-5-11-22(19)23/h1-12,20-21,25H,13-17H2/t20-,21-/m1/s1
InChIKeyOWLWGTWFFKUJNX-NHCUHLMSSA-N
XLogP4.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
CID 18081673
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-naphthalen-1-yloxy-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol
CID 86889645
4-[(2R)-2-hydroxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propoxy]benzonitrile
CID 100851303
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 110182844
2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 154842290
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 111103265
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
1-[[2-(1-hydroxyethyl)-1-benzofuran-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
CID 22729129
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
CID 18081715

Frequently Asked Questions

What is the IUPAC name of (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol (CID 100856123) is (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol is O[C@@H](COc1cccc2ccccc12)CN1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol?
The InChIKey is OWLWGTWFFKUJNX-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H25NO2/c25-21(16-24-14-13-20(15-24)18-7-2-1-3-8-18)17-26-23-12-6-10-19-9-4-5-11-22(19)23/h1-12,20-21,25H,13-17H2/t20-,21-/m1/s1.
What are the key properties of (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol?
(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol has a molecular weight of 347.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 100856123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).