1H-indol-3-ylmethanol

C9H9NO — CID 3712

IUPAC1H-indol-3-ylmethanol
SMILESOCc1c[nH]c2ccccc12
InChIInChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
InChIKeyIVYPNXXAYMYVSP-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.66
Rot. Bonds1

About 1H-indol-3-ylmethanol

1H-indol-3-ylmethanol (PubChem CID 3712) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1H-indol-3-ylmethanol.

Molecular Properties

Compound Name1H-indol-3-ylmethanol
PubChem CID3712
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1H-indol-3-ylmethanol
SMILESOCc1c[nH]c2ccccc12
InChIInChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
InChIKeyIVYPNXXAYMYVSP-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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Related Compounds

Indole-3-Butyric Acid
CID 8617
Serotonin
CID 5202
Skatole
CID 6736
Tryptamine
CID 1150
Bufotenine
CID 10257
Psilocin
CID 4980
Tryptophol
CID 10685
Indole-3-Carboxylic Acid
CID 69867
5-Hydroxytryptophol
CID 9061
6-Hydroxyindole
CID 524508
Serotonin Hydrochloride
CID 160436
N-Methylserotonin
CID 150885

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylmethanol?
The IUPAC name of 1H-indol-3-ylmethanol (CID 3712) is 1H-indol-3-ylmethanol.
What is the SMILES notation for 1H-indol-3-ylmethanol?
The canonical SMILES for 1H-indol-3-ylmethanol is OCc1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-ylmethanol?
The InChIKey is IVYPNXXAYMYVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2.
What are the key properties of 1H-indol-3-ylmethanol?
1H-indol-3-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-3-ylmethanol is sourced from PubChem (CID 3712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).