(2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol

C22H20FNO — CID 154715868

IUPAC(2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol
SMILESC[C@@]1(c2ccc(F)cc2)C[C@@H](c2ccccc2)Nc2c(O)cccc21
InChIInChI=1S/C22H20FNO/c1-22(16-10-12-17(23)13-11-16)14-19(15-6-3-2-4-7-15)24-21-18(22)8-5-9-20(21)25/h2-13,19,24-25H,14H2,1H3/t19-,22-/m0/s1
InChIKeyHRNQYECBTFSOAJ-UGKGYDQZSA-N
MW333.41 g/mol
LogP5.39
Rot. Bonds2

About (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol

(2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol (PubChem CID 154715868) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol.

Molecular Properties

Compound Name(2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol
PubChem CID154715868
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name(2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol
SMILESC[C@@]1(c2ccc(F)cc2)C[C@@H](c2ccccc2)Nc2c(O)cccc21
InChIInChI=1S/C22H20FNO/c1-22(16-10-12-17(23)13-11-16)14-19(15-6-3-2-4-7-15)24-21-18(22)8-5-9-20(21)25/h2-13,19,24-25H,14H2,1H3/t19-,22-/m0/s1
InChIKeyHRNQYECBTFSOAJ-UGKGYDQZSA-N
XLogP5.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol?
The IUPAC name of (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol (CID 154715868) is (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol.
What is the SMILES notation for (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol?
The canonical SMILES for (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol is C[C@@]1(c2ccc(F)cc2)C[C@@H](c2ccccc2)Nc2c(O)cccc21.
What is the InChIKey of (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol?
The InChIKey is HRNQYECBTFSOAJ-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H20FNO/c1-22(16-10-12-17(23)13-11-16)14-19(15-6-3-2-4-7-15)24-21-18(22)8-5-9-20(21)25/h2-13,19,24-25H,14H2,1H3/t19-,22-/m0/s1.
What are the key properties of (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol?
(2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol has a molecular weight of 333.41 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol is sourced from PubChem (CID 154715868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).