2-(1H-indol-5-yl)propan-2-ol

C11H13NO — CID 71695280

IUPAC2-(1H-indol-5-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H13NO/c1-11(2,13)9-3-4-10-8(7-9)5-6-12-10/h3-7,12-13H,1-2H3
InChIKeyGOCLWNVWWADZNI-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.40
Rot. Bonds1

About 2-(1H-indol-5-yl)propan-2-ol

2-(1H-indol-5-yl)propan-2-ol (PubChem CID 71695280) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1H-indol-5-yl)propan-2-ol
PubChem CID71695280
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(1H-indol-5-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H13NO/c1-11(2,13)9-3-4-10-8(7-9)5-6-12-10/h3-7,12-13H,1-2H3
InChIKeyGOCLWNVWWADZNI-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)propan-2-ol?
The IUPAC name of 2-(1H-indol-5-yl)propan-2-ol (CID 71695280) is 2-(1H-indol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(1H-indol-5-yl)propan-2-ol?
The canonical SMILES for 2-(1H-indol-5-yl)propan-2-ol is CC(C)(O)c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-yl)propan-2-ol?
The InChIKey is GOCLWNVWWADZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(2,13)9-3-4-10-8(7-9)5-6-12-10/h3-7,12-13H,1-2H3.
What are the key properties of 2-(1H-indol-5-yl)propan-2-ol?
2-(1H-indol-5-yl)propan-2-ol has a molecular weight of 175.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)propan-2-ol is sourced from PubChem (CID 71695280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).