1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

C19H23NO — CID 11836475

IUPAC1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
SMILESOC12CCCCC1C(c1ccc3ccccc3c1)NCC2
InChIInChI=1S/C19H23NO/c21-19-10-4-3-7-17(19)18(20-12-11-19)16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,17-18,20-21H,3-4,7,10-12H2
InChIKeyLNMZDLQETPKCDD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.80
Rot. Bonds1

About 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (PubChem CID 11836475) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.

Molecular Properties

Compound Name1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
PubChem CID11836475
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
SMILESOC12CCCCC1C(c1ccc3ccccc3c1)NCC2
InChIInChI=1S/C19H23NO/c21-19-10-4-3-7-17(19)18(20-12-11-19)16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,17-18,20-21H,3-4,7,10-12H2
InChIKeyLNMZDLQETPKCDD-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The IUPAC name of 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (CID 11836475) is 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.
What is the SMILES notation for 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The canonical SMILES for 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is OC12CCCCC1C(c1ccc3ccccc3c1)NCC2.
What is the InChIKey of 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The InChIKey is LNMZDLQETPKCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c21-19-10-4-3-7-17(19)18(20-12-11-19)16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,17-18,20-21H,3-4,7,10-12H2.
What are the key properties of 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol has a molecular weight of 281.40 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is sourced from PubChem (CID 11836475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).