3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol

C13H19NO2 — CID 155134303

IUPAC3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol
SMILESCC1(C)CC[C@H]([C@H](O)c2cccc(O)c2)N1
InChIInChI=1S/C13H19NO2/c1-13(2)7-6-11(14-13)12(16)9-4-3-5-10(15)8-9/h3-5,8,11-12,14-16H,6-7H2,1-2H3/t11-,12-/m1/s1
InChIKeyGYIAKZUDKSOMSY-VXGBXAGGSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds2

About 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol

3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol (PubChem CID 155134303) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol.

Molecular Properties

Compound Name3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol
PubChem CID155134303
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol
SMILESCC1(C)CC[C@H]([C@H](O)c2cccc(O)c2)N1
InChIInChI=1S/C13H19NO2/c1-13(2)7-6-11(14-13)12(16)9-4-3-5-10(15)8-9/h3-5,8,11-12,14-16H,6-7H2,1-2H3/t11-,12-/m1/s1
InChIKeyGYIAKZUDKSOMSY-VXGBXAGGSA-N
XLogP1.96
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol
CID 162391391
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol
CID 162391375
(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
CID 155127031
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257
(S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol
CID 155127118
(S)-(4-amino-3,5-difluorophenyl)-[(2R)-5,5-dimethylpyrrolidin-2-yl]methanol
CID 155127158
[3-[[(2R)-6,6-dimethylpiperidin-2-yl]-hydroxymethyl]phenyl] acetate
CID 155127057
(3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol
CID 70515421
(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
CID 155134327
(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
CID 155126922
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
CID 155126943

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol?
The IUPAC name of 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol (CID 155134303) is 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol.
What is the SMILES notation for 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol?
The canonical SMILES for 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol is CC1(C)CC[C@H]([C@H](O)c2cccc(O)c2)N1.
What is the InChIKey of 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol?
The InChIKey is GYIAKZUDKSOMSY-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)7-6-11(14-13)12(16)9-4-3-5-10(15)8-9/h3-5,8,11-12,14-16H,6-7H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol?
3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol is sourced from PubChem (CID 155134303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).