3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol

C11H15NO — CID 84732147

IUPAC3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol
SMILESCC(C)C1NCc2cccc(O)c21
InChIInChI=1S/C11H15NO/c1-7(2)11-10-8(6-12-11)4-3-5-9(10)13/h3-5,7,11-13H,6H2,1-2H3
InChIKeyNIUMZXXLSFANAR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.19
Rot. Bonds1

About 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol

3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol (PubChem CID 84732147) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol.

Molecular Properties

Compound Name3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol
PubChem CID84732147
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol
SMILESCC(C)C1NCc2cccc(O)c21
InChIInChI=1S/C11H15NO/c1-7(2)11-10-8(6-12-11)4-3-5-9(10)13/h3-5,7,11-13H,6H2,1-2H3
InChIKeyNIUMZXXLSFANAR-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol?
The IUPAC name of 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol (CID 84732147) is 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol.
What is the SMILES notation for 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol?
The canonical SMILES for 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol is CC(C)C1NCc2cccc(O)c21.
What is the InChIKey of 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol?
The InChIKey is NIUMZXXLSFANAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7(2)11-10-8(6-12-11)4-3-5-9(10)13/h3-5,7,11-13H,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol?
3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol has a molecular weight of 177.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol is sourced from PubChem (CID 84732147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).