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

C23H23NO — CID 154717389

IUPAC(2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
SMILESCc1cccc([C@@H]2C[C@@](C)(c3ccccc3)c3cccc(O)c3N2)c1
InChIInChI=1S/C23H23NO/c1-16-8-6-9-17(14-16)20-15-23(2,18-10-4-3-5-11-18)19-12-7-13-21(25)22(19)24-20/h3-14,20,24-25H,15H2,1-2H3/t20-,23-/m0/s1
InChIKeyQGOVYABJHCYWOC-REWPJTCUSA-N
MW329.44 g/mol
LogP5.56
Rot. Bonds2

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

(2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol (PubChem CID 154717389) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol.

Molecular Properties

Compound Name(2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
PubChem CID154717389
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name(2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
SMILESCc1cccc([C@@H]2C[C@@](C)(c3ccccc3)c3cccc(O)c3N2)c1
InChIInChI=1S/C23H23NO/c1-16-8-6-9-17(14-16)20-15-23(2,18-10-4-3-5-11-18)19-12-7-13-21(25)22(19)24-20/h3-14,20,24-25H,15H2,1-2H3/t20-,23-/m0/s1
InChIKeyQGOVYABJHCYWOC-REWPJTCUSA-N
XLogP5.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.56
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-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol?
The IUPAC name of (2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol (CID 154717389) is (2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol.
What is the SMILES notation for (2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol?
The canonical SMILES for (2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol is Cc1cccc([C@@H]2C[C@@](C)(c3ccccc3)c3cccc(O)c3N2)c1.
What is the InChIKey of (2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol?
The InChIKey is QGOVYABJHCYWOC-REWPJTCUSA-N. The full InChI is InChI=1S/C23H23NO/c1-16-8-6-9-17(14-16)20-15-23(2,18-10-4-3-5-11-18)19-12-7-13-21(25)22(19)24-20/h3-14,20,24-25H,15H2,1-2H3/t20-,23-/m0/s1.
What are the key properties of (2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol?
(2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol has a molecular weight of 329.44 g/mol, XLogP of 5.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol is sourced from PubChem (CID 154717389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).