(3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol

C22H27NO3 — CID 124802517

IUPAC(3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol
SMILESO[C@]1(c2ccccc2)CCN(Cc2cccc(OC[C@H]3CCCO3)c2)C1
InChIInChI=1S/C22H27NO3/c24-22(19-7-2-1-3-8-19)11-12-23(17-22)15-18-6-4-9-20(14-18)26-16-21-10-5-13-25-21/h1-4,6-9,14,21,24H,5,10-13,15-17H2/t21-,22-/m1/s1
InChIKeyOGKGTIPNROVSPT-FGZHOGPDSA-N
MW353.46 g/mol
LogP3.34
Rot. Bonds6

About (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol

(3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 124802517) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol
PubChem CID124802517
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol
SMILESO[C@]1(c2ccccc2)CCN(Cc2cccc(OC[C@H]3CCCO3)c2)C1
InChIInChI=1S/C22H27NO3/c24-22(19-7-2-1-3-8-19)11-12-23(17-22)15-18-6-4-9-20(14-18)26-16-21-10-5-13-25-21/h1-4,6-9,14,21,24H,5,10-13,15-17H2/t21-,22-/m1/s1
InChIKeyOGKGTIPNROVSPT-FGZHOGPDSA-N
XLogP3.34
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46524153
1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 16674082
(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 51595829
[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol
CID 61049771
(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol (CID 124802517) is (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol is O[C@]1(c2ccccc2)CCN(Cc2cccc(OC[C@H]3CCCO3)c2)C1.
What is the InChIKey of (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is OGKGTIPNROVSPT-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H27NO3/c24-22(19-7-2-1-3-8-19)11-12-23(17-22)15-18-6-4-9-20(14-18)26-16-21-10-5-13-25-21/h1-4,6-9,14,21,24H,5,10-13,15-17H2/t21-,22-/m1/s1.
What are the key properties of (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol?
(3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 353.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 124802517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).