1,2,3-trimethylindol-4-ol

C11H13NO — CID 3028973

IUPAC1,2,3-trimethylindol-4-ol
SMILESCc1c(C)n(C)c2cccc(O)c12
InChIInChI=1S/C11H13NO/c1-7-8(2)12(3)9-5-4-6-10(13)11(7)9/h4-6,13H,1-3H3
InChIKeyJFHDKIKXJSRNTQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.50
Rot. Bonds

About 1,2,3-trimethylindol-4-ol

1,2,3-trimethylindol-4-ol (PubChem CID 3028973) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,2,3-trimethylindol-4-ol.

Molecular Properties

Compound Name1,2,3-trimethylindol-4-ol
PubChem CID3028973
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1,2,3-trimethylindol-4-ol
SMILESCc1c(C)n(C)c2cccc(O)c12
InChIInChI=1S/C11H13NO/c1-7-8(2)12(3)9-5-4-6-10(13)11(7)9/h4-6,13H,1-3H3
InChIKeyJFHDKIKXJSRNTQ-UHFFFAOYSA-N
XLogP2.50
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylindol-4-ol?
The IUPAC name of 1,2,3-trimethylindol-4-ol (CID 3028973) is 1,2,3-trimethylindol-4-ol.
What is the SMILES notation for 1,2,3-trimethylindol-4-ol?
The canonical SMILES for 1,2,3-trimethylindol-4-ol is Cc1c(C)n(C)c2cccc(O)c12.
What is the InChIKey of 1,2,3-trimethylindol-4-ol?
The InChIKey is JFHDKIKXJSRNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-8(2)12(3)9-5-4-6-10(13)11(7)9/h4-6,13H,1-3H3.
What are the key properties of 1,2,3-trimethylindol-4-ol?
1,2,3-trimethylindol-4-ol has a molecular weight of 175.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylindol-4-ol is sourced from PubChem (CID 3028973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).