4,5-dimethyl-1H-indol-2-ol

C10H11NO — CID 57106525

IUPAC4,5-dimethyl-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)cc2c1C
InChIInChI=1S/C10H11NO/c1-6-3-4-9-8(7(6)2)5-10(12)11-9/h3-5,11-12H,1-2H3
InChIKeyGKONFEJNEPCTOI-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.49
Rot. Bonds

About 4,5-dimethyl-1H-indol-2-ol

4,5-dimethyl-1H-indol-2-ol (PubChem CID 57106525) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4,5-dimethyl-1H-indol-2-ol.

Molecular Properties

Compound Name4,5-dimethyl-1H-indol-2-ol
PubChem CID57106525
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4,5-dimethyl-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)cc2c1C
InChIInChI=1S/C10H11NO/c1-6-3-4-9-8(7(6)2)5-10(12)11-9/h3-5,11-12H,1-2H3
InChIKeyGKONFEJNEPCTOI-UHFFFAOYSA-N
XLogP2.49
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-indol-2-ol?
The IUPAC name of 4,5-dimethyl-1H-indol-2-ol (CID 57106525) is 4,5-dimethyl-1H-indol-2-ol.
What is the SMILES notation for 4,5-dimethyl-1H-indol-2-ol?
The canonical SMILES for 4,5-dimethyl-1H-indol-2-ol is Cc1ccc2[nH]c(O)cc2c1C.
What is the InChIKey of 4,5-dimethyl-1H-indol-2-ol?
The InChIKey is GKONFEJNEPCTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-3-4-9-8(7(6)2)5-10(12)11-9/h3-5,11-12H,1-2H3.
What are the key properties of 4,5-dimethyl-1H-indol-2-ol?
4,5-dimethyl-1H-indol-2-ol has a molecular weight of 161.20 g/mol, XLogP of 2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-indol-2-ol is sourced from PubChem (CID 57106525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).