1-(5,6-dimethyl-1H-indol-3-yl)ethanol

C12H15NO — CID 83945019

IUPAC1-(5,6-dimethyl-1H-indol-3-yl)ethanol
SMILESCc1cc2[nH]cc(C(C)O)c2cc1C
InChIInChI=1S/C12H15NO/c1-7-4-10-11(9(3)14)6-13-12(10)5-8(7)2/h4-6,9,13-14H,1-3H3
InChIKeyFNIOSUYRJTURFA-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.84
Rot. Bonds1

About 1-(5,6-dimethyl-1H-indol-3-yl)ethanol

1-(5,6-dimethyl-1H-indol-3-yl)ethanol (PubChem CID 83945019) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5,6-dimethyl-1H-indol-3-yl)ethanol
PubChem CID83945019
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(5,6-dimethyl-1H-indol-3-yl)ethanol
SMILESCc1cc2[nH]cc(C(C)O)c2cc1C
InChIInChI=1S/C12H15NO/c1-7-4-10-11(9(3)14)6-13-12(10)5-8(7)2/h4-6,9,13-14H,1-3H3
InChIKeyFNIOSUYRJTURFA-UHFFFAOYSA-N
XLogP2.84
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
5,6-dimethyl-1H-indole-3-carbonyl chloride
CID 45081910
N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol
CID 67721566
2-(5,6-dimethyl-1H-indol-3-yl)-2-oxoacetaldehyde
CID 174428230
1-(4-methoxy-1H-indol-3-yl)ethanol
CID 117194998
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
CID 83173825
(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82759015
2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
CID 131561654
(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
CID 149406796
1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 170210989

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1H-indol-3-yl)ethanol?
The IUPAC name of 1-(5,6-dimethyl-1H-indol-3-yl)ethanol (CID 83945019) is 1-(5,6-dimethyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 1-(5,6-dimethyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 1-(5,6-dimethyl-1H-indol-3-yl)ethanol is Cc1cc2[nH]cc(C(C)O)c2cc1C.
What is the InChIKey of 1-(5,6-dimethyl-1H-indol-3-yl)ethanol?
The InChIKey is FNIOSUYRJTURFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-7-4-10-11(9(3)14)6-13-12(10)5-8(7)2/h4-6,9,13-14H,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1H-indol-3-yl)ethanol?
1-(5,6-dimethyl-1H-indol-3-yl)ethanol has a molecular weight of 189.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 83945019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).