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

C12H17NO2 — CID 131873349

IUPAC[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
SMILESCOc1cccc([C@@H]2CCN[C@H]2CO)c1
InChIInChI=1S/C12H17NO2/c1-15-10-4-2-3-9(7-10)11-5-6-13-12(11)8-14/h2-4,7,11-14H,5-6,8H2,1H3/t11-,12-/m0/s1
InChIKeyZIMCOMZATKPPFU-RYUDHWBXSA-N
MW207.27 g/mol
LogP1.13
Rot. Bonds3

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

[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol (PubChem CID 131873349) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
PubChem CID131873349
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
SMILESCOc1cccc([C@@H]2CCN[C@H]2CO)c1
InChIInChI=1S/C12H17NO2/c1-15-10-4-2-3-9(7-10)11-5-6-13-12(11)8-14/h2-4,7,11-14H,5-6,8H2,1H3/t11-,12-/m0/s1
InChIKeyZIMCOMZATKPPFU-RYUDHWBXSA-N
XLogP1.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-3-(3-methoxyphenyl)pyrrolidine
CID 62720607
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
2-ethyl-3-(3-phenoxyphenyl)pyrrolidine
CID 63468592
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763617
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
CID 73259610
[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
4-(3-methoxyphenyl)-3-(4-methylphenyl)piperidine
CID 79432555

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol (CID 131873349) is [(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol is COc1cccc([C@@H]2CCN[C@H]2CO)c1.
What is the InChIKey of [(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol?
The InChIKey is ZIMCOMZATKPPFU-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-10-4-2-3-9(7-10)11-5-6-13-12(11)8-14/h2-4,7,11-14H,5-6,8H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol?
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol has a molecular weight of 207.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 131873349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).