2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol

C21H19NO — CID 134839601

IUPAC2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol
SMILESOc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2ccccc21
InChIInChI=1S/C21H19NO/c23-21-13-7-5-11-17(21)18-14-20(15-8-2-1-3-9-15)22-19-12-6-4-10-16(18)19/h1-13,18,20,22-23H,14H2/t18-,20-/m0/s1
InChIKeyIZQBIRYFRQOSNH-ICSRJNTNSA-N
MW301.39 g/mol
LogP5.08
Rot. Bonds2

About 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol

2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol (PubChem CID 134839601) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol.

Molecular Properties

Compound Name2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol
PubChem CID134839601
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol
SMILESOc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2ccccc21
InChIInChI=1S/C21H19NO/c23-21-13-7-5-11-17(21)18-14-20(15-8-2-1-3-9-15)22-19-12-6-4-10-16(18)19/h1-13,18,20,22-23H,14H2/t18-,20-/m0/s1
InChIKeyIZQBIRYFRQOSNH-ICSRJNTNSA-N
XLogP5.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol?
The IUPAC name of 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol (CID 134839601) is 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol.
What is the SMILES notation for 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol?
The canonical SMILES for 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol is Oc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2ccccc21.
What is the InChIKey of 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol?
The InChIKey is IZQBIRYFRQOSNH-ICSRJNTNSA-N. The full InChI is InChI=1S/C21H19NO/c23-21-13-7-5-11-17(21)18-14-20(15-8-2-1-3-9-15)22-19-12-6-4-10-16(18)19/h1-13,18,20,22-23H,14H2/t18-,20-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol?
2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol has a molecular weight of 301.39 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol is sourced from PubChem (CID 134839601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).