4-ethoxy-1-ethyl-2,3-dihydroindole

C12H17NO — CID 59678208

IUPAC4-ethoxy-1-ethyl-2,3-dihydroindole
SMILESCCOc1cccc2c1CCN2CC
InChIInChI=1S/C12H17NO/c1-3-13-9-8-10-11(13)6-5-7-12(10)14-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyNAYXDUJHNMQRQL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.47
Rot. Bonds3

About 4-ethoxy-1-ethyl-2,3-dihydroindole

4-ethoxy-1-ethyl-2,3-dihydroindole (PubChem CID 59678208) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-ethoxy-1-ethyl-2,3-dihydroindole.

Molecular Properties

Compound Name4-ethoxy-1-ethyl-2,3-dihydroindole
PubChem CID59678208
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-ethoxy-1-ethyl-2,3-dihydroindole
SMILESCCOc1cccc2c1CCN2CC
InChIInChI=1S/C12H17NO/c1-3-13-9-8-10-11(13)6-5-7-12(10)14-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyNAYXDUJHNMQRQL-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-ethyl-2,3-dihydroindole?
The IUPAC name of 4-ethoxy-1-ethyl-2,3-dihydroindole (CID 59678208) is 4-ethoxy-1-ethyl-2,3-dihydroindole.
What is the SMILES notation for 4-ethoxy-1-ethyl-2,3-dihydroindole?
The canonical SMILES for 4-ethoxy-1-ethyl-2,3-dihydroindole is CCOc1cccc2c1CCN2CC.
What is the InChIKey of 4-ethoxy-1-ethyl-2,3-dihydroindole?
The InChIKey is NAYXDUJHNMQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-13-9-8-10-11(13)6-5-7-12(10)14-4-2/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 4-ethoxy-1-ethyl-2,3-dihydroindole?
4-ethoxy-1-ethyl-2,3-dihydroindole has a molecular weight of 191.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-ethyl-2,3-dihydroindole is sourced from PubChem (CID 59678208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).