2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol

C12H15NO2 — CID 117197112

IUPAC2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol
SMILESCC(C)(O)Cc1cc2cccc(O)c2[nH]1
InChIInChI=1S/C12H15NO2/c1-12(2,15)7-9-6-8-4-3-5-10(14)11(8)13-9/h3-6,13-15H,7H2,1-2H3
InChIKeyZLECEWDLOOBDGC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.19
Rot. Bonds2

About 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol

2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol (PubChem CID 117197112) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol
PubChem CID117197112
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol
SMILESCC(C)(O)Cc1cc2cccc(O)c2[nH]1
InChIInChI=1S/C12H15NO2/c1-12(2,15)7-9-6-8-4-3-5-10(14)11(8)13-9/h3-6,13-15H,7H2,1-2H3
InChIKeyZLECEWDLOOBDGC-UHFFFAOYSA-N
XLogP2.19
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol?
The IUPAC name of 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol (CID 117197112) is 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol?
The canonical SMILES for 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol is CC(C)(O)Cc1cc2cccc(O)c2[nH]1.
What is the InChIKey of 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol?
The InChIKey is ZLECEWDLOOBDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,15)7-9-6-8-4-3-5-10(14)11(8)13-9/h3-6,13-15H,7H2,1-2H3.
What are the key properties of 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol?
2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol has a molecular weight of 205.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol is sourced from PubChem (CID 117197112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).