(4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol

C15H21NO — CID 125492837

IUPAC(4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol
SMILESO[C@@]12CCCC[C@]1(c1ccccc1)NCCC2
InChIInChI=1S/C15H21NO/c17-14-9-4-5-11-15(14,16-12-6-10-14)13-7-2-1-3-8-13/h1-3,7-8,16-17H,4-6,9-12H2/t14-,15-/m1/s1
InChIKeyNNLVWJVXHNDVDW-HUUCEWRRSA-N
MW231.34 g/mol
LogP2.57
Rot. Bonds1

About (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol

(4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol (PubChem CID 125492837) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol.

Molecular Properties

Compound Name(4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol
PubChem CID125492837
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol
SMILESO[C@@]12CCCC[C@]1(c1ccccc1)NCCC2
InChIInChI=1S/C15H21NO/c17-14-9-4-5-11-15(14,16-12-6-10-14)13-7-2-1-3-8-13/h1-3,7-8,16-17H,4-6,9-12H2/t14-,15-/m1/s1
InChIKeyNNLVWJVXHNDVDW-HUUCEWRRSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol?
The IUPAC name of (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol (CID 125492837) is (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol.
What is the SMILES notation for (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol?
The canonical SMILES for (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol is O[C@@]12CCCC[C@]1(c1ccccc1)NCCC2.
What is the InChIKey of (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol?
The InChIKey is NNLVWJVXHNDVDW-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21NO/c17-14-9-4-5-11-15(14,16-12-6-10-14)13-7-2-1-3-8-13/h1-3,7-8,16-17H,4-6,9-12H2/t14-,15-/m1/s1.
What are the key properties of (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol?
(4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol has a molecular weight of 231.34 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-8a-phenyl-1,2,3,4,5,6,7,8-octahydroquinolin-4a-ol is sourced from PubChem (CID 125492837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).