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

C22H27NO — CID 154717668

IUPAC(2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
SMILESC[C@@]1(c2ccccc2)C[C@@H](C2CCCCC2)Nc2c(O)cccc21
InChIInChI=1S/C22H27NO/c1-22(17-11-6-3-7-12-17)15-19(16-9-4-2-5-10-16)23-21-18(22)13-8-14-20(21)24/h3,6-8,11-14,16,19,23-24H,2,4-5,9-10,15H2,1H3/t19-,22-/m0/s1
InChIKeyVWHQQMRGDKXKHR-UGKGYDQZSA-N
MW321.46 g/mol
LogP5.46
Rot. Bonds2

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

(2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol (PubChem CID 154717668) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol.

Molecular Properties

Compound Name(2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
PubChem CID154717668
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
SMILESC[C@@]1(c2ccccc2)C[C@@H](C2CCCCC2)Nc2c(O)cccc21
InChIInChI=1S/C22H27NO/c1-22(17-11-6-3-7-12-17)15-19(16-9-4-2-5-10-16)23-21-18(22)13-8-14-20(21)24/h3,6-8,11-14,16,19,23-24H,2,4-5,9-10,15H2,1H3/t19-,22-/m0/s1
InChIKeyVWHQQMRGDKXKHR-UGKGYDQZSA-N
XLogP5.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.46
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)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol?
The IUPAC name of (2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol (CID 154717668) is (2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol.
What is the SMILES notation for (2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol?
The canonical SMILES for (2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol is C[C@@]1(c2ccccc2)C[C@@H](C2CCCCC2)Nc2c(O)cccc21.
What is the InChIKey of (2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol?
The InChIKey is VWHQQMRGDKXKHR-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H27NO/c1-22(17-11-6-3-7-12-17)15-19(16-9-4-2-5-10-16)23-21-18(22)13-8-14-20(21)24/h3,6-8,11-14,16,19,23-24H,2,4-5,9-10,15H2,1H3/t19-,22-/m0/s1.
What are the key properties of (2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol?
(2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol has a molecular weight of 321.46 g/mol, XLogP of 5.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol is sourced from PubChem (CID 154717668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).