(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

C19H21NO — CID 155511171

IUPAC(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
SMILESO[C@@H]1C[C@@H](c2ccccc2)N2CCc3ccccc3[C@@H]2C1
InChIInChI=1S/C19H21NO/c21-16-12-18(15-7-2-1-3-8-15)20-11-10-14-6-4-5-9-17(14)19(20)13-16/h1-9,16,18-19,21H,10-13H2/t16-,18+,19+/m1/s1
InChIKeyBPMKKJKTRYEWIS-NEWSRXKRSA-N
MW279.38 g/mol
LogP3.48
Rot. Bonds1

About (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (PubChem CID 155511171) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

Molecular Properties

Compound Name(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
PubChem CID155511171
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
SMILESO[C@@H]1C[C@@H](c2ccccc2)N2CCc3ccccc3[C@@H]2C1
InChIInChI=1S/C19H21NO/c21-16-12-18(15-7-2-1-3-8-15)20-11-10-14-6-4-5-9-17(14)19(20)13-16/h1-9,16,18-19,21H,10-13H2/t16-,18+,19+/m1/s1
InChIKeyBPMKKJKTRYEWIS-NEWSRXKRSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol with MolForge

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Related Compounds

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1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?
The IUPAC name of (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (CID 155511171) is (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.
What is the SMILES notation for (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?
The canonical SMILES for (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is O[C@@H]1C[C@@H](c2ccccc2)N2CCc3ccccc3[C@@H]2C1.
What is the InChIKey of (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?
The InChIKey is BPMKKJKTRYEWIS-NEWSRXKRSA-N. The full InChI is InChI=1S/C19H21NO/c21-16-12-18(15-7-2-1-3-8-15)20-11-10-14-6-4-5-9-17(14)19(20)13-16/h1-9,16,18-19,21H,10-13H2/t16-,18+,19+/m1/s1.
What are the key properties of (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?
(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol has a molecular weight of 279.38 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is sourced from PubChem (CID 155511171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).