2,2-dimethylindol-4-ol

C10H11NO — CID 136662873

IUPAC2,2-dimethylindol-4-ol
SMILESCC1(C)C=c2c(O)cccc2=N1
InChIInChI=1S/C10H11NO/c1-10(2)6-7-8(11-10)4-3-5-9(7)12/h3-6,12H,1-2H3
InChIKeyVYYNGERBPLUIOG-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.58
Rot. Bonds

About 2,2-dimethylindol-4-ol

2,2-dimethylindol-4-ol (PubChem CID 136662873) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2,2-dimethylindol-4-ol.

Molecular Properties

Compound Name2,2-dimethylindol-4-ol
PubChem CID136662873
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2,2-dimethylindol-4-ol
SMILESCC1(C)C=c2c(O)cccc2=N1
InChIInChI=1S/C10H11NO/c1-10(2)6-7-8(11-10)4-3-5-9(7)12/h3-6,12H,1-2H3
InChIKeyVYYNGERBPLUIOG-UHFFFAOYSA-N
XLogP0.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylindol-4-ol?
The IUPAC name of 2,2-dimethylindol-4-ol (CID 136662873) is 2,2-dimethylindol-4-ol.
What is the SMILES notation for 2,2-dimethylindol-4-ol?
The canonical SMILES for 2,2-dimethylindol-4-ol is CC1(C)C=c2c(O)cccc2=N1.
What is the InChIKey of 2,2-dimethylindol-4-ol?
The InChIKey is VYYNGERBPLUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-10(2)6-7-8(11-10)4-3-5-9(7)12/h3-6,12H,1-2H3.
What are the key properties of 2,2-dimethylindol-4-ol?
2,2-dimethylindol-4-ol has a molecular weight of 161.20 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylindol-4-ol is sourced from PubChem (CID 136662873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).