[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol

C12H17NO2 — CID 167117714

IUPAC[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol
SMILESOC[C@@H]1NCC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H17NO2/c14-8-11-12(6-7-13-11)15-9-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12+/m0/s1
InChIKeyZKBXYPUJSSXGAL-NWDGAFQWSA-N
MW207.27 g/mol
LogP0.93
Rot. Bonds4

About [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol

[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol (PubChem CID 167117714) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol
PubChem CID167117714
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol
SMILESOC[C@@H]1NCC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H17NO2/c14-8-11-12(6-7-13-11)15-9-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12+/m0/s1
InChIKeyZKBXYPUJSSXGAL-NWDGAFQWSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-3-[(4-octylphenyl)methoxy]pyrrolidin-2-yl]methanol
CID 72704518
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 11165190
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol
CID 11790849
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CID 19379364
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 122383761
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol
CID 11321665

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol (CID 167117714) is [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol is OC[C@@H]1NCC[C@H]1OCc1ccccc1.
What is the InChIKey of [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol?
The InChIKey is ZKBXYPUJSSXGAL-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17NO2/c14-8-11-12(6-7-13-11)15-9-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12+/m0/s1.
What are the key properties of [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol?
[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol has a molecular weight of 207.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 167117714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).