1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol

C15H23NO2 — CID 117200472

IUPAC1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
SMILESCCN1CC(CC(C)(C)O)c2c(OC)cccc21
InChIInChI=1S/C15H23NO2/c1-5-16-10-11(9-15(2,3)17)14-12(16)7-6-8-13(14)18-4/h6-8,11,17H,5,9-10H2,1-4H3
InChIKeyVFDUGKJVPLVDPQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds4

About 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol

1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol (PubChem CID 117200472) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
PubChem CID117200472
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
SMILESCCN1CC(CC(C)(C)O)c2c(OC)cccc21
InChIInChI=1S/C15H23NO2/c1-5-16-10-11(9-15(2,3)17)14-12(16)7-6-8-13(14)18-4/h6-8,11,17H,5,9-10H2,1-4H3
InChIKeyVFDUGKJVPLVDPQ-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol (CID 117200472) is 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol is CCN1CC(CC(C)(C)O)c2c(OC)cccc21.
What is the InChIKey of 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol?
The InChIKey is VFDUGKJVPLVDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-16-10-11(9-15(2,3)17)14-12(16)7-6-8-13(14)18-4/h6-8,11,17H,5,9-10H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol?
1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117200472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).