2-(3,3-dimethylindol-2-yl)ethanol

C12H15NO — CID 175729814

IUPAC2-(3,3-dimethylindol-2-yl)ethanol
SMILESCC1(C)C(CCO)=Nc2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2)9-5-3-4-6-10(9)13-11(12)7-8-14/h3-6,14H,7-8H2,1-2H3
InChIKeyJIRYWSMXDXRNCP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.43
Rot. Bonds2

About 2-(3,3-dimethylindol-2-yl)ethanol

2-(3,3-dimethylindol-2-yl)ethanol (PubChem CID 175729814) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(3,3-dimethylindol-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethylindol-2-yl)ethanol
PubChem CID175729814
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(3,3-dimethylindol-2-yl)ethanol
SMILESCC1(C)C(CCO)=Nc2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2)9-5-3-4-6-10(9)13-11(12)7-8-14/h3-6,14H,7-8H2,1-2H3
InChIKeyJIRYWSMXDXRNCP-UHFFFAOYSA-N
XLogP2.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylindol-2-yl)ethanol?
The IUPAC name of 2-(3,3-dimethylindol-2-yl)ethanol (CID 175729814) is 2-(3,3-dimethylindol-2-yl)ethanol.
What is the SMILES notation for 2-(3,3-dimethylindol-2-yl)ethanol?
The canonical SMILES for 2-(3,3-dimethylindol-2-yl)ethanol is CC1(C)C(CCO)=Nc2ccccc21.
What is the InChIKey of 2-(3,3-dimethylindol-2-yl)ethanol?
The InChIKey is JIRYWSMXDXRNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)9-5-3-4-6-10(9)13-11(12)7-8-14/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 2-(3,3-dimethylindol-2-yl)ethanol?
2-(3,3-dimethylindol-2-yl)ethanol has a molecular weight of 189.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylindol-2-yl)ethanol is sourced from PubChem (CID 175729814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).