3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol

C17H25NO — CID 68878981

IUPAC3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol
SMILESCC1CN2CCCCC2CC1(C)c1cccc(O)c1
InChIInChI=1S/C17H25NO/c1-13-12-18-9-4-3-7-15(18)11-17(13,2)14-6-5-8-16(19)10-14/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3
InChIKeyGDKWWNFLHNEVNU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.54
Rot. Bonds1

About 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol

3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol (PubChem CID 68878981) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol.

Molecular Properties

Compound Name3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol
PubChem CID68878981
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol
SMILESCC1CN2CCCCC2CC1(C)c1cccc(O)c1
InChIInChI=1S/C17H25NO/c1-13-12-18-9-4-3-7-15(18)11-17(13,2)14-6-5-8-16(19)10-14/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3
InChIKeyGDKWWNFLHNEVNU-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol?
The IUPAC name of 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol (CID 68878981) is 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol.
What is the SMILES notation for 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol?
The canonical SMILES for 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol is CC1CN2CCCCC2CC1(C)c1cccc(O)c1.
What is the InChIKey of 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol?
The InChIKey is GDKWWNFLHNEVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-12-18-9-4-3-7-15(18)11-17(13,2)14-6-5-8-16(19)10-14/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol?
3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol has a molecular weight of 259.39 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol is sourced from PubChem (CID 68878981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).