3-(2-hydroxyethyl)-2H-isoindol-1-ol

C10H11NO2 — CID 54269795

IUPAC3-(2-hydroxyethyl)-2H-isoindol-1-ol
SMILESOCCc1[nH]c(O)c2ccccc12
InChIInChI=1S/C10H11NO2/c12-6-5-9-7-3-1-2-4-8(7)10(13)11-9/h1-4,11-13H,5-6H2
InChIKeyRJIIIOVKWDGQST-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.41
Rot. Bonds2

About 3-(2-hydroxyethyl)-2H-isoindol-1-ol

3-(2-hydroxyethyl)-2H-isoindol-1-ol (PubChem CID 54269795) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2H-isoindol-1-ol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2H-isoindol-1-ol
PubChem CID54269795
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-(2-hydroxyethyl)-2H-isoindol-1-ol
SMILESOCCc1[nH]c(O)c2ccccc12
InChIInChI=1S/C10H11NO2/c12-6-5-9-7-3-1-2-4-8(7)10(13)11-9/h1-4,11-13H,5-6H2
InChIKeyRJIIIOVKWDGQST-UHFFFAOYSA-N
XLogP1.41
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2H-isoindol-1-ol?
The IUPAC name of 3-(2-hydroxyethyl)-2H-isoindol-1-ol (CID 54269795) is 3-(2-hydroxyethyl)-2H-isoindol-1-ol.
What is the SMILES notation for 3-(2-hydroxyethyl)-2H-isoindol-1-ol?
The canonical SMILES for 3-(2-hydroxyethyl)-2H-isoindol-1-ol is OCCc1[nH]c(O)c2ccccc12.
What is the InChIKey of 3-(2-hydroxyethyl)-2H-isoindol-1-ol?
The InChIKey is RJIIIOVKWDGQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-5-9-7-3-1-2-4-8(7)10(13)11-9/h1-4,11-13H,5-6H2.
What are the key properties of 3-(2-hydroxyethyl)-2H-isoindol-1-ol?
3-(2-hydroxyethyl)-2H-isoindol-1-ol has a molecular weight of 177.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2H-isoindol-1-ol is sourced from PubChem (CID 54269795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).