ethane;7-methoxy-2-methyl-1H-indole

C12H17NO — CID 143863749

IUPACethane;7-methoxy-2-methyl-1H-indole
SMILESCC.COc1cccc2cc(C)[nH]c12
InChIInChI=1S/C10H11NO.C2H6/c1-7-6-8-4-3-5-9(12-2)10(8)11-7;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyIZFHEQPQKQQAGZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.51
Rot. Bonds1

About ethane;7-methoxy-2-methyl-1H-indole

ethane;7-methoxy-2-methyl-1H-indole (PubChem CID 143863749) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;7-methoxy-2-methyl-1H-indole.

Molecular Properties

Compound Nameethane;7-methoxy-2-methyl-1H-indole
PubChem CID143863749
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nameethane;7-methoxy-2-methyl-1H-indole
SMILESCC.COc1cccc2cc(C)[nH]c12
InChIInChI=1S/C10H11NO.C2H6/c1-7-6-8-4-3-5-9(12-2)10(8)11-7;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyIZFHEQPQKQQAGZ-UHFFFAOYSA-N
XLogP3.51
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-6-methoxy-2-methyl-1H-indole
CID 130063664
(7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane
CID 123990604
4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
CID 159600634
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
1-(7-methoxy-1H-indol-2-yl)ethane-1,2-diamine
CID 170895159
2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole
CID 70855502
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
N-ethyl-1-(7-methoxy-1H-indol-2-yl)ethanamine
CID 65332606
5,6-dimethoxy-2-methyl-1H-indole;ethane
CID 171088058
3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755
8-methoxy-1H-quinazolin-2-one
CID 53438636
7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole
CID 165356820

Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-2-methyl-1H-indole?
The IUPAC name of ethane;7-methoxy-2-methyl-1H-indole (CID 143863749) is ethane;7-methoxy-2-methyl-1H-indole.
What is the SMILES notation for ethane;7-methoxy-2-methyl-1H-indole?
The canonical SMILES for ethane;7-methoxy-2-methyl-1H-indole is CC.COc1cccc2cc(C)[nH]c12.
What is the InChIKey of ethane;7-methoxy-2-methyl-1H-indole?
The InChIKey is IZFHEQPQKQQAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H6/c1-7-6-8-4-3-5-9(12-2)10(8)11-7;1-2/h3-6,11H,1-2H3;1-2H3.
What are the key properties of ethane;7-methoxy-2-methyl-1H-indole?
ethane;7-methoxy-2-methyl-1H-indole has a molecular weight of 191.27 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methoxy-2-methyl-1H-indole is sourced from PubChem (CID 143863749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).