5-propan-2-yl-1H-indol-7-ol

C11H13NO — CID 137431372

IUPAC5-propan-2-yl-1H-indol-7-ol
SMILESCC(C)c1cc(O)c2[nH]ccc2c1
InChIInChI=1S/C11H13NO/c1-7(2)9-5-8-3-4-12-11(8)10(13)6-9/h3-7,12-13H,1-2H3
InChIKeyQUEJQFBYIHZEHU-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.00
Rot. Bonds1

About 5-propan-2-yl-1H-indol-7-ol

5-propan-2-yl-1H-indol-7-ol (PubChem CID 137431372) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-propan-2-yl-1H-indol-7-ol.

Molecular Properties

Compound Name5-propan-2-yl-1H-indol-7-ol
PubChem CID137431372
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-propan-2-yl-1H-indol-7-ol
SMILESCC(C)c1cc(O)c2[nH]ccc2c1
InChIInChI=1S/C11H13NO/c1-7(2)9-5-8-3-4-12-11(8)10(13)6-9/h3-7,12-13H,1-2H3
InChIKeyQUEJQFBYIHZEHU-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-indol-7-ol?
The IUPAC name of 5-propan-2-yl-1H-indol-7-ol (CID 137431372) is 5-propan-2-yl-1H-indol-7-ol.
What is the SMILES notation for 5-propan-2-yl-1H-indol-7-ol?
The canonical SMILES for 5-propan-2-yl-1H-indol-7-ol is CC(C)c1cc(O)c2[nH]ccc2c1.
What is the InChIKey of 5-propan-2-yl-1H-indol-7-ol?
The InChIKey is QUEJQFBYIHZEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7(2)9-5-8-3-4-12-11(8)10(13)6-9/h3-7,12-13H,1-2H3.
What are the key properties of 5-propan-2-yl-1H-indol-7-ol?
5-propan-2-yl-1H-indol-7-ol has a molecular weight of 175.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-indol-7-ol is sourced from PubChem (CID 137431372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).