3-indol-1-ylpropan-1-ol

C11H13NO — CID 15981606

IUPAC3-indol-1-ylpropan-1-ol
SMILESOCCCn1ccc2ccccc21
InChIInChI=1S/C11H13NO/c13-9-3-7-12-8-6-10-4-1-2-5-11(10)12/h1-2,4-6,8,13H,3,7,9H2
InChIKeyBOXDPPLUKGIQLV-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.02
Rot. Bonds3

About 3-indol-1-ylpropan-1-ol

3-indol-1-ylpropan-1-ol (PubChem CID 15981606) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-indol-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-indol-1-ylpropan-1-ol
PubChem CID15981606
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-indol-1-ylpropan-1-ol
SMILESOCCCn1ccc2ccccc21
InChIInChI=1S/C11H13NO/c13-9-3-7-12-8-6-10-4-1-2-5-11(10)12/h1-2,4-6,8,13H,3,7,9H2
InChIKeyBOXDPPLUKGIQLV-UHFFFAOYSA-N
XLogP2.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-indol-1-ylpropan-1-ol?
The IUPAC name of 3-indol-1-ylpropan-1-ol (CID 15981606) is 3-indol-1-ylpropan-1-ol.
What is the SMILES notation for 3-indol-1-ylpropan-1-ol?
The canonical SMILES for 3-indol-1-ylpropan-1-ol is OCCCn1ccc2ccccc21.
What is the InChIKey of 3-indol-1-ylpropan-1-ol?
The InChIKey is BOXDPPLUKGIQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-9-3-7-12-8-6-10-4-1-2-5-11(10)12/h1-2,4-6,8,13H,3,7,9H2.
What are the key properties of 3-indol-1-ylpropan-1-ol?
3-indol-1-ylpropan-1-ol has a molecular weight of 175.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-ylpropan-1-ol is sourced from PubChem (CID 15981606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).