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

C15H17NO — CID 59663848

IUPAC(7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol
SMILESO[C@H]1CCC2C=CC=NC2[C@@H]1c1ccccc1
InChIInChI=1S/C15H17NO/c17-13-9-8-12-7-4-10-16-15(12)14(13)11-5-2-1-3-6-11/h1-7,10,12-15,17H,8-9H2/t12?,13-,14+,15?/m0/s1
InChIKeyOCVIFRAMTJDYDT-RAFNIBEQSA-N
MW227.31 g/mol
LogP2.55
Rot. Bonds1

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

(7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol (PubChem CID 59663848) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol.

Molecular Properties

Compound Name(7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol
PubChem CID59663848
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol
SMILESO[C@H]1CCC2C=CC=NC2[C@@H]1c1ccccc1
InChIInChI=1S/C15H17NO/c17-13-9-8-12-7-4-10-16-15(12)14(13)11-5-2-1-3-6-11/h1-7,10,12-15,17H,8-9H2/t12?,13-,14+,15?/m0/s1
InChIKeyOCVIFRAMTJDYDT-RAFNIBEQSA-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 (7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol?
The IUPAC name of (7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol (CID 59663848) is (7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol.
What is the SMILES notation for (7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol?
The canonical SMILES for (7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol is O[C@H]1CCC2C=CC=NC2[C@@H]1c1ccccc1.
What is the InChIKey of (7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol?
The InChIKey is OCVIFRAMTJDYDT-RAFNIBEQSA-N. The full InChI is InChI=1S/C15H17NO/c17-13-9-8-12-7-4-10-16-15(12)14(13)11-5-2-1-3-6-11/h1-7,10,12-15,17H,8-9H2/t12?,13-,14+,15?/m0/s1.
What are the key properties of (7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol?
(7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-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 (7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol is sourced from PubChem (CID 59663848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).