ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole

C15H25NO — CID 143128028

IUPACethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole
SMILESCC.CCC1(C)c2ccccc2C(C)(C)N1O
InChIInChI=1S/C13H19NO.C2H6/c1-5-13(4)11-9-7-6-8-10(11)12(2,3)14(13)15;1-2/h6-9,15H,5H2,1-4H3;1-2H3
InChIKeyGWGJLLLBLNOPFZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.28
Rot. Bonds1

About ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole

ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole (PubChem CID 143128028) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole.

Molecular Properties

Compound Nameethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole
PubChem CID143128028
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole
SMILESCC.CCC1(C)c2ccccc2C(C)(C)N1O
InChIInChI=1S/C13H19NO.C2H6/c1-5-13(4)11-9-7-6-8-10(11)12(2,3)14(13)15;1-2/h6-9,15H,5H2,1-4H3;1-2H3
InChIKeyGWGJLLLBLNOPFZ-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole?
The IUPAC name of ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole (CID 143128028) is ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole.
What is the SMILES notation for ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole?
The canonical SMILES for ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole is CC.CCC1(C)c2ccccc2C(C)(C)N1O.
What is the InChIKey of ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole?
The InChIKey is GWGJLLLBLNOPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-5-13(4)11-9-7-6-8-10(11)12(2,3)14(13)15;1-2/h6-9,15H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole?
ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole has a molecular weight of 235.37 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole is sourced from PubChem (CID 143128028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).