ethane;5-methoxy-1,2,3-trimethylindole

C16H27NO — CID 143529502

IUPACethane;5-methoxy-1,2,3-trimethylindole
SMILESCC.CC.COc1ccc2c(c1)c(C)c(C)n2C
InChIInChI=1S/C12H15NO.2C2H6/c1-8-9(2)13(3)12-6-5-10(14-4)7-11(8)12;2*1-2/h5-7H,1-4H3;2*1-2H3
InChIKeyOLJMLROPABNIPR-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.86
Rot. Bonds1

About ethane;5-methoxy-1,2,3-trimethylindole

ethane;5-methoxy-1,2,3-trimethylindole (PubChem CID 143529502) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;5-methoxy-1,2,3-trimethylindole.

Molecular Properties

Compound Nameethane;5-methoxy-1,2,3-trimethylindole
PubChem CID143529502
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;5-methoxy-1,2,3-trimethylindole
SMILESCC.CC.COc1ccc2c(c1)c(C)c(C)n2C
InChIInChI=1S/C12H15NO.2C2H6/c1-8-9(2)13(3)12-6-5-10(14-4)7-11(8)12;2*1-2/h5-7H,1-4H3;2*1-2H3
InChIKeyOLJMLROPABNIPR-UHFFFAOYSA-N
XLogP4.86
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1,2-dimethyl-3-propan-2-ylindole
CID 167327667
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
CID 171338243
5,6-dimethoxy-1,2,3-trimethylindole
CID 21049658
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone
CID 142926296
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742295
4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
CID 82498291
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
6-(5-methoxy-1,2-dimethylindol-3-yl)pyridin-3-amine
CID 115110619
5-methoxy-1,2-dimethyl-3-(2-nitroethenyl)indole
CID 77469691

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-1,2,3-trimethylindole?
The IUPAC name of ethane;5-methoxy-1,2,3-trimethylindole (CID 143529502) is ethane;5-methoxy-1,2,3-trimethylindole.
What is the SMILES notation for ethane;5-methoxy-1,2,3-trimethylindole?
The canonical SMILES for ethane;5-methoxy-1,2,3-trimethylindole is CC.CC.COc1ccc2c(c1)c(C)c(C)n2C.
What is the InChIKey of ethane;5-methoxy-1,2,3-trimethylindole?
The InChIKey is OLJMLROPABNIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.2C2H6/c1-8-9(2)13(3)12-6-5-10(14-4)7-11(8)12;2*1-2/h5-7H,1-4H3;2*1-2H3.
What are the key properties of ethane;5-methoxy-1,2,3-trimethylindole?
ethane;5-methoxy-1,2,3-trimethylindole has a molecular weight of 249.40 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-1,2,3-trimethylindole is sourced from PubChem (CID 143529502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).