1-(1-ethyl-4-methylindol-2-yl)ethanol

C13H17NO — CID 117120337

IUPAC1-(1-ethyl-4-methylindol-2-yl)ethanol
SMILESCCn1c(C(C)O)cc2c(C)cccc21
InChIInChI=1S/C13H17NO/c1-4-14-12-7-5-6-9(2)11(12)8-13(14)10(3)15/h5-8,10,15H,4H2,1-3H3
InChIKeyVOGMSMDWCVJCJE-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.02
Rot. Bonds2

About 1-(1-ethyl-4-methylindol-2-yl)ethanol

1-(1-ethyl-4-methylindol-2-yl)ethanol (PubChem CID 117120337) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-ethyl-4-methylindol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-ethyl-4-methylindol-2-yl)ethanol
PubChem CID117120337
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-ethyl-4-methylindol-2-yl)ethanol
SMILESCCn1c(C(C)O)cc2c(C)cccc21
InChIInChI=1S/C13H17NO/c1-4-14-12-7-5-6-9(2)11(12)8-13(14)10(3)15/h5-8,10,15H,4H2,1-3H3
InChIKeyVOGMSMDWCVJCJE-UHFFFAOYSA-N
XLogP3.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate
CID 115071961
methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate
CID 115071957
1-ethyl-4-methylindole-2-carboxylic acid
CID 53408213
ethyl 2-(1-ethyl-4-methylindol-2-yl)-2-oxoacetate
CID 115072524
1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine
CID 117194509
1,4-dimethyl-2-propan-2-ylindole;oxalic acid
CID 19389733
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(2-ethoxycarbonyl-4-methylindol-1-yl)propanoic acid
CID 15548945
ethane;1,2,4-trimethylindole
CID 91318944
1-(4-methylindol-1-yl)propan-2-ol
CID 10631504
(2S)-1-(4-methylindol-1-yl)propan-2-ol
CID 67737659
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
CID 117120379

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methylindol-2-yl)ethanol?
The IUPAC name of 1-(1-ethyl-4-methylindol-2-yl)ethanol (CID 117120337) is 1-(1-ethyl-4-methylindol-2-yl)ethanol.
What is the SMILES notation for 1-(1-ethyl-4-methylindol-2-yl)ethanol?
The canonical SMILES for 1-(1-ethyl-4-methylindol-2-yl)ethanol is CCn1c(C(C)O)cc2c(C)cccc21.
What is the InChIKey of 1-(1-ethyl-4-methylindol-2-yl)ethanol?
The InChIKey is VOGMSMDWCVJCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-14-12-7-5-6-9(2)11(12)8-13(14)10(3)15/h5-8,10,15H,4H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methylindol-2-yl)ethanol?
1-(1-ethyl-4-methylindol-2-yl)ethanol has a molecular weight of 203.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methylindol-2-yl)ethanol is sourced from PubChem (CID 117120337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).