(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol

C21H27NO2 — CID 150322644

IUPAC(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@@H]1CC[C@H]([C@@H](O)c2cccc(OCc3ccccc3)c2)N1
InChIInChI=1S/C21H27NO2/c1-2-7-18-12-13-20(22-18)21(23)17-10-6-11-19(14-17)24-15-16-8-4-3-5-9-16/h3-6,8-11,14,18,20-23H,2,7,12-13,15H2,1H3/t18-,20-,21+/m1/s1
InChIKeyGNYRDJAHLIRAFP-NRSPTQNISA-N
MW325.45 g/mol
LogP4.22
Rot. Bonds7

About (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol

(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol (PubChem CID 150322644) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
PubChem CID150322644
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@@H]1CC[C@H]([C@@H](O)c2cccc(OCc3ccccc3)c2)N1
InChIInChI=1S/C21H27NO2/c1-2-7-18-12-13-20(22-18)21(23)17-10-6-11-19(14-17)24-15-16-8-4-3-5-9-16/h3-6,8-11,14,18,20-23H,2,7,12-13,15H2,1H3/t18-,20-,21+/m1/s1
InChIKeyGNYRDJAHLIRAFP-NRSPTQNISA-N
XLogP4.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol
CID 138481027
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
[5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 139823105
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
[3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenyl] acetate
CID 138473439
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
[5-[2-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 54560286
acetic acid;3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473437
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 138473406
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721

Frequently Asked Questions

What is the IUPAC name of (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol?
The IUPAC name of (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol (CID 150322644) is (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol.
What is the SMILES notation for (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol?
The canonical SMILES for (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol is CCC[C@@H]1CC[C@H]([C@@H](O)c2cccc(OCc3ccccc3)c2)N1.
What is the InChIKey of (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol?
The InChIKey is GNYRDJAHLIRAFP-NRSPTQNISA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-7-18-12-13-20(22-18)21(23)17-10-6-11-19(14-17)24-15-16-8-4-3-5-9-16/h3-6,8-11,14,18,20-23H,2,7,12-13,15H2,1H3/t18-,20-,21+/m1/s1.
What are the key properties of (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol?
(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol has a molecular weight of 325.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 150322644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).