(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol

C14H21NO3 — CID 111101940

IUPAC(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
SMILESCc1ccccc1OCC(O)CN1CC[C@@H](O)C1
InChIInChI=1S/C14H21NO3/c1-11-4-2-3-5-14(11)18-10-13(17)9-15-7-6-12(16)8-15/h2-5,12-13,16-17H,6-10H2,1H3/t12-,13?/m1/s1
InChIKeyMMMZWRRYLUFTTQ-PZORYLMUSA-N
MW251.33 g/mol
LogP0.80
Rot. Bonds5

About (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol

(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol (PubChem CID 111101940) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
PubChem CID111101940
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
SMILESCc1ccccc1OCC(O)CN1CC[C@@H](O)C1
InChIInChI=1S/C14H21NO3/c1-11-4-2-3-5-14(11)18-10-13(17)9-15-7-6-12(16)8-15/h2-5,12-13,16-17H,6-10H2,1H3/t12-,13?/m1/s1
InChIKeyMMMZWRRYLUFTTQ-PZORYLMUSA-N
XLogP0.80
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(3S)-1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123240
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
2-[2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propoxy]benzenecarbothioamide
CID 62942248
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
CID 18081673
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
CID 110921573

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol (CID 111101940) is (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol is Cc1ccccc1OCC(O)CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol?
The InChIKey is MMMZWRRYLUFTTQ-PZORYLMUSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-4-2-3-5-14(11)18-10-13(17)9-15-7-6-12(16)8-15/h2-5,12-13,16-17H,6-10H2,1H3/t12-,13?/m1/s1.
What are the key properties of (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol?
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 111101940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).