(5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol

C15H17NO — CID 59649731

IUPAC(5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol
SMILESO[C@@H]1CCC2N=CC=CC2[C@H]1c1ccccc1
InChIInChI=1S/C15H17NO/c17-14-9-8-13-12(7-4-10-16-13)15(14)11-5-2-1-3-6-11/h1-7,10,12-15,17H,8-9H2/t12?,13?,14-,15-/m1/s1
InChIKeyYRSLMVPTOACDPK-NEXFUWMNSA-N
MW227.31 g/mol
LogP2.55
Rot. Bonds1

About (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol

(5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol (PubChem CID 59649731) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol.

Molecular Properties

Compound Name(5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol
PubChem CID59649731
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol
SMILESO[C@@H]1CCC2N=CC=CC2[C@H]1c1ccccc1
InChIInChI=1S/C15H17NO/c17-14-9-8-13-12(7-4-10-16-13)15(14)11-5-2-1-3-6-11/h1-7,10,12-15,17H,8-9H2/t12?,13?,14-,15-/m1/s1
InChIKeyYRSLMVPTOACDPK-NEXFUWMNSA-N
XLogP2.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol?
The IUPAC name of (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol (CID 59649731) is (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol.
What is the SMILES notation for (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol?
The canonical SMILES for (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol is O[C@@H]1CCC2N=CC=CC2[C@H]1c1ccccc1.
What is the InChIKey of (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol?
The InChIKey is YRSLMVPTOACDPK-NEXFUWMNSA-N. The full InChI is InChI=1S/C15H17NO/c17-14-9-8-13-12(7-4-10-16-13)15(14)11-5-2-1-3-6-11/h1-7,10,12-15,17H,8-9H2/t12?,13?,14-,15-/m1/s1.
What are the key properties of (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol?
(5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol has a molecular weight of 227.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol is sourced from PubChem (CID 59649731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).