ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone

C16H25NO2 — CID 142557246

IUPACethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone
SMILESCC.Cc1ccc2c(c1)CN(C(=O)CO)CC2(C)C
InChIInChI=1S/C14H19NO2.C2H6/c1-10-4-5-12-11(6-10)7-15(13(17)8-16)9-14(12,2)3;1-2/h4-6,16H,7-9H2,1-3H3;1-2H3
InChIKeyGWOOJLJXUOFCKP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds1

About ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone

ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone (PubChem CID 142557246) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone.

Molecular Properties

Compound Nameethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone
PubChem CID142557246
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone
SMILESCC.Cc1ccc2c(c1)CN(C(=O)CO)CC2(C)C
InChIInChI=1S/C14H19NO2.C2H6/c1-10-4-5-12-11(6-10)7-15(13(17)8-16)9-14(12,2)3;1-2/h4-6,16H,7-9H2,1-3H3;1-2H3
InChIKeyGWOOJLJXUOFCKP-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone?
The IUPAC name of ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone (CID 142557246) is ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone.
What is the SMILES notation for ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone?
The canonical SMILES for ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone is CC.Cc1ccc2c(c1)CN(C(=O)CO)CC2(C)C.
What is the InChIKey of ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone?
The InChIKey is GWOOJLJXUOFCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C2H6/c1-10-4-5-12-11(6-10)7-15(13(17)8-16)9-14(12,2)3;1-2/h4-6,16H,7-9H2,1-3H3;1-2H3.
What are the key properties of ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone?
ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-1-(4,4,7-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone is sourced from PubChem (CID 142557246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).