3-[hydroxy(pyrrolidin-2-yl)methyl]phenol

C11H15NO2 — CID 83484257

IUPAC3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
SMILESOc1cccc(C(O)C2CCCN2)c1
InChIInChI=1S/C11H15NO2/c13-9-4-1-3-8(7-9)11(14)10-5-2-6-12-10/h1,3-4,7,10-14H,2,5-6H2
InChIKeyQXBLOGLAHFULNE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.18
Rot. Bonds2

About 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol

3-[hydroxy(pyrrolidin-2-yl)methyl]phenol (PubChem CID 83484257) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
PubChem CID83484257
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
SMILESOc1cccc(C(O)C2CCCN2)c1
InChIInChI=1S/C11H15NO2/c13-9-4-1-3-8(7-9)11(14)10-5-2-6-12-10/h1,3-4,7,10-14H,2,5-6H2
InChIKeyQXBLOGLAHFULNE-UHFFFAOYSA-N
XLogP1.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(3-propylphenyl)-pyrrolidin-2-ylmethanol
CID 106640142
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
pyridin-3-yl(pyrrolidin-2-yl)methanol
CID 22605701
3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol
CID 155134303
2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol?
The IUPAC name of 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol (CID 83484257) is 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol.
What is the SMILES notation for 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol?
The canonical SMILES for 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol is Oc1cccc(C(O)C2CCCN2)c1.
What is the InChIKey of 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol?
The InChIKey is QXBLOGLAHFULNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-9-4-1-3-8(7-9)11(14)10-5-2-6-12-10/h1,3-4,7,10-14H,2,5-6H2.
What are the key properties of 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol?
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol has a molecular weight of 193.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(pyrrolidin-2-yl)methyl]phenol is sourced from PubChem (CID 83484257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).