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

C23H23NO2 — CID 73356783

IUPAC2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol
SMILESCOc1cc([C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@H]2C)ccc1O
InChIInChI=1S/C23H23NO2/c1-15-22(17-12-13-20(25)21(14-17)26-2)18-10-6-7-11-19(18)24-23(15)16-8-4-3-5-9-16/h3-15,22-25H,1-2H3/t15-,22+,23-/m0/s1
InChIKeyIWAXDKIPUBCHLU-BJQRDSPESA-N
MW345.44 g/mol
LogP5.34
Rot. Bonds3

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

2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol (PubChem CID 73356783) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol
PubChem CID73356783
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol
SMILESCOc1cc([C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@H]2C)ccc1O
InChIInChI=1S/C23H23NO2/c1-15-22(17-12-13-20(25)21(14-17)26-2)18-10-6-7-11-19(18)24-23(15)16-8-4-3-5-9-16/h3-15,22-25H,1-2H3/t15-,22+,23-/m0/s1
InChIKeyIWAXDKIPUBCHLU-BJQRDSPESA-N
XLogP5.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol?
The IUPAC name of 2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol (CID 73356783) is 2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol?
The canonical SMILES for 2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol is COc1cc([C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@H]2C)ccc1O.
What is the InChIKey of 2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol?
The InChIKey is IWAXDKIPUBCHLU-BJQRDSPESA-N. The full InChI is InChI=1S/C23H23NO2/c1-15-22(17-12-13-20(25)21(14-17)26-2)18-10-6-7-11-19(18)24-23(15)16-8-4-3-5-9-16/h3-15,22-25H,1-2H3/t15-,22+,23-/m0/s1.
What are the key properties of 2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol?
2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol has a molecular weight of 345.44 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(2S,3S,4R)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol is sourced from PubChem (CID 73356783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).