4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol

C13H19NO3 — CID 123856726

IUPAC4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol
SMILESOCCN1CCC(Cc2ccc(O)cc2O)C1
InChIInChI=1S/C13H19NO3/c15-6-5-14-4-3-10(9-14)7-11-1-2-12(16)8-13(11)17/h1-2,8,10,15-17H,3-7,9H2
InChIKeyDKSXFEUZSAZJEG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds4

About 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol

4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol (PubChem CID 123856726) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol
PubChem CID123856726
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol
SMILESOCCN1CCC(Cc2ccc(O)cc2O)C1
InChIInChI=1S/C13H19NO3/c15-6-5-14-4-3-10(9-14)7-11-1-2-12(16)8-13(11)17/h1-2,8,10,15-17H,3-7,9H2
InChIKeyDKSXFEUZSAZJEG-UHFFFAOYSA-N
XLogP0.95
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol (CID 123856726) is 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol is OCCN1CCC(Cc2ccc(O)cc2O)C1.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol?
The InChIKey is DKSXFEUZSAZJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-6-5-14-4-3-10(9-14)7-11-1-2-12(16)8-13(11)17/h1-2,8,10,15-17H,3-7,9H2.
What are the key properties of 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol?
4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol has a molecular weight of 237.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol is sourced from PubChem (CID 123856726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).