1H-indol-5-ylmethanol

C9H9NO — CID 2773458

IUPAC1H-indol-5-ylmethanol
SMILESOCc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2
InChIKeyZSHFWQNPJMUBQU-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.66
Rot. Bonds1

About 1H-indol-5-ylmethanol

1H-indol-5-ylmethanol (PubChem CID 2773458) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1H-indol-5-ylmethanol.

Molecular Properties

Compound Name1H-indol-5-ylmethanol
PubChem CID2773458
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1H-indol-5-ylmethanol
SMILESOCc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2
InChIKeyZSHFWQNPJMUBQU-UHFFFAOYSA-N
XLogP1.66
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-ylmethanol?
The IUPAC name of 1H-indol-5-ylmethanol (CID 2773458) is 1H-indol-5-ylmethanol.
What is the SMILES notation for 1H-indol-5-ylmethanol?
The canonical SMILES for 1H-indol-5-ylmethanol is OCc1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indol-5-ylmethanol?
The InChIKey is ZSHFWQNPJMUBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2.
What are the key properties of 1H-indol-5-ylmethanol?
1H-indol-5-ylmethanol has a molecular weight of 147.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-ylmethanol is sourced from PubChem (CID 2773458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).