2-(4,7-dimethylindol-1-yl)ethanol

C12H15NO — CID 83944885

IUPAC2-(4,7-dimethylindol-1-yl)ethanol
SMILESCc1ccc(C)c2c1ccn2CCO
InChIInChI=1S/C12H15NO/c1-9-3-4-10(2)12-11(9)5-6-13(12)7-8-14/h3-6,14H,7-8H2,1-2H3
InChIKeyXNQTZUSEAATTMG-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.25
Rot. Bonds2

About 2-(4,7-dimethylindol-1-yl)ethanol

2-(4,7-dimethylindol-1-yl)ethanol (PubChem CID 83944885) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4,7-dimethylindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,7-dimethylindol-1-yl)ethanol
PubChem CID83944885
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(4,7-dimethylindol-1-yl)ethanol
SMILESCc1ccc(C)c2c1ccn2CCO
InChIInChI=1S/C12H15NO/c1-9-3-4-10(2)12-11(9)5-6-13(12)7-8-14/h3-6,14H,7-8H2,1-2H3
InChIKeyXNQTZUSEAATTMG-UHFFFAOYSA-N
XLogP2.25
TPSA25.16 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,7-dimethylindol-1-yl)acetic acid
CID 83944897
2-(2-hydroxyethyl)-5-methylisoquinolin-1-one
CID 58270417
2-(5,6-dimethylindol-1-yl)ethanol
CID 83944319
1-(2-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83945940
2-(4,7-dimethyl-3-propylindol-1-yl)ethanol
CID 83944887
1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244448
2-(6-chloro-5-methylindol-1-yl)ethanol
CID 83944384
2-(4-bromoindol-1-yl)ethanol
CID 66827454
2-[7-(hydroxymethyl)indol-1-yl]ethanol
CID 102912014
2-(5-tert-butyl-3-methylindol-1-yl)ethanol
CID 83945063
(1,7-dimethylindazol-4-yl)methanol
CID 155733013
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethylindol-1-yl)ethanol?
The IUPAC name of 2-(4,7-dimethylindol-1-yl)ethanol (CID 83944885) is 2-(4,7-dimethylindol-1-yl)ethanol.
What is the SMILES notation for 2-(4,7-dimethylindol-1-yl)ethanol?
The canonical SMILES for 2-(4,7-dimethylindol-1-yl)ethanol is Cc1ccc(C)c2c1ccn2CCO.
What is the InChIKey of 2-(4,7-dimethylindol-1-yl)ethanol?
The InChIKey is XNQTZUSEAATTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-3-4-10(2)12-11(9)5-6-13(12)7-8-14/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 2-(4,7-dimethylindol-1-yl)ethanol?
2-(4,7-dimethylindol-1-yl)ethanol has a molecular weight of 189.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethylindol-1-yl)ethanol is sourced from PubChem (CID 83944885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).