ethane;4-ethoxy-2-methyl-1H-indole

C13H19NO — CID 171088293

IUPACethane;4-ethoxy-2-methyl-1H-indole
SMILESCC.CCOc1cccc2[nH]c(C)cc12
InChIInChI=1S/C11H13NO.C2H6/c1-3-13-11-6-4-5-10-9(11)7-8(2)12-10;1-2/h4-7,12H,3H2,1-2H3;1-2H3
InChIKeyMNEBGOBKLOGLNW-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.90
Rot. Bonds2

About ethane;4-ethoxy-2-methyl-1H-indole

ethane;4-ethoxy-2-methyl-1H-indole (PubChem CID 171088293) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;4-ethoxy-2-methyl-1H-indole.

Molecular Properties

Compound Nameethane;4-ethoxy-2-methyl-1H-indole
PubChem CID171088293
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nameethane;4-ethoxy-2-methyl-1H-indole
SMILESCC.CCOc1cccc2[nH]c(C)cc12
InChIInChI=1S/C11H13NO.C2H6/c1-3-13-11-6-4-5-10-9(11)7-8(2)12-10;1-2/h4-7,12H,3H2,1-2H3;1-2H3
InChIKeyMNEBGOBKLOGLNW-UHFFFAOYSA-N
XLogP3.90
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol
CID 158401862
1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 163771819
2-methyl-4-[[(2S)-oxiran-2-yl]methoxy]-1H-indole;sulfane
CID 158839388
2,4-dimethyl-1H-indole;ethane
CID 91303970
4-(ethoxymethyl)-2-methyl-1H-indole
CID 122222423
4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
CID 159600634
tert-butyl-[(2R)-2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]azanium
CID 7085884
ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene
CID 158184538
1-(2-ethoxyphenyl)-9H-carbazole
CID 175136892
1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 3763936
ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate
CID 66841782

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-2-methyl-1H-indole?
The IUPAC name of ethane;4-ethoxy-2-methyl-1H-indole (CID 171088293) is ethane;4-ethoxy-2-methyl-1H-indole.
What is the SMILES notation for ethane;4-ethoxy-2-methyl-1H-indole?
The canonical SMILES for ethane;4-ethoxy-2-methyl-1H-indole is CC.CCOc1cccc2[nH]c(C)cc12.
What is the InChIKey of ethane;4-ethoxy-2-methyl-1H-indole?
The InChIKey is MNEBGOBKLOGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C2H6/c1-3-13-11-6-4-5-10-9(11)7-8(2)12-10;1-2/h4-7,12H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethoxy-2-methyl-1H-indole?
ethane;4-ethoxy-2-methyl-1H-indole has a molecular weight of 205.30 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-2-methyl-1H-indole is sourced from PubChem (CID 171088293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).