4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol

C11H15NO2 — CID 84664828

IUPAC4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol
SMILESOc1ccc(CC2CNCC2O)cc1
InChIInChI=1S/C11H15NO2/c13-10-3-1-8(2-4-10)5-9-6-12-7-11(9)14/h1-4,9,11-14H,5-7H2
InChIKeyHWPKOMVFIBMLTL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.51
Rot. Bonds2

About 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol

4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol (PubChem CID 84664828) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol
PubChem CID84664828
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol
SMILESOc1ccc(CC2CNCC2O)cc1
InChIInChI=1S/C11H15NO2/c13-10-3-1-8(2-4-10)5-9-6-12-7-11(9)14/h1-4,9,11-14H,5-7H2
InChIKeyHWPKOMVFIBMLTL-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[(4-bromophenyl)methyl]piperidin-3-ol
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4-(azetidin-3-ylsulfonylmethyl)phenol
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4-(piperidin-4-ylmethyl)phenol
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4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
3-[(4-hydroxyphenyl)methyl]oxan-4-ol
CID 106471081
4-(azetidin-3-ylmethylsulfonylmethyl)phenol
CID 81198576
4-[[(2R,5R)-5-benzylpiperazin-2-yl]methyl]phenol
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4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol (CID 84664828) is 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol is Oc1ccc(CC2CNCC2O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is HWPKOMVFIBMLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-3-1-8(2-4-10)5-9-6-12-7-11(9)14/h1-4,9,11-14H,5-7H2.
What are the key properties of 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol?
4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 193.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 84664828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).