4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol

C21H19NO — CID 21398511

IUPAC4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol
SMILESOc1ccc(N2c3ccccc3CCC2c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c23-19-13-11-18(12-14-19)22-20-9-5-4-8-17(20)10-15-21(22)16-6-2-1-3-7-16/h1-9,11-14,21,23H,10,15H2
InChIKeyHHOQHMXGGNUFDB-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.22
Rot. Bonds2

About 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol

4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol (PubChem CID 21398511) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol.

Molecular Properties

Compound Name4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol
PubChem CID21398511
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol
SMILESOc1ccc(N2c3ccccc3CCC2c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c23-19-13-11-18(12-14-19)22-20-9-5-4-8-17(20)10-15-21(22)16-6-2-1-3-7-16/h1-9,11-14,21,23H,10,15H2
InChIKeyHHOQHMXGGNUFDB-UHFFFAOYSA-N
XLogP5.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol?
The IUPAC name of 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol (CID 21398511) is 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol.
What is the SMILES notation for 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol?
The canonical SMILES for 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol is Oc1ccc(N2c3ccccc3CCC2c2ccccc2)cc1.
What is the InChIKey of 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol?
The InChIKey is HHOQHMXGGNUFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c23-19-13-11-18(12-14-19)22-20-9-5-4-8-17(20)10-15-21(22)16-6-2-1-3-7-16/h1-9,11-14,21,23H,10,15H2.
What are the key properties of 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol?
4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol has a molecular weight of 301.39 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol is sourced from PubChem (CID 21398511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).