7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol

C19H21NO — CID 13085430

IUPAC7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol
SMILESOC12CCCCC1N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C19H21NO/c21-19-14-8-7-13-17(19)20(16-11-5-2-6-12-16)18(19)15-9-3-1-4-10-15/h1-6,9-12,17-18,21H,7-8,13-14H2
InChIKeyYPPPUPDOFDVPMG-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.92
Rot. Bonds2

About 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol

7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol (PubChem CID 13085430) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol.

Molecular Properties

Compound Name7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol
PubChem CID13085430
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol
SMILESOC12CCCCC1N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C19H21NO/c21-19-14-8-7-13-17(19)20(16-11-5-2-6-12-16)18(19)15-9-3-1-4-10-15/h1-6,9-12,17-18,21H,7-8,13-14H2
InChIKeyYPPPUPDOFDVPMG-UHFFFAOYSA-N
XLogP3.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine
CID 173381467
(2R,4aR,8aS)-4a-hydroxy-1-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-4-one
CID 11889561
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511
(1S,4aR,8aR)-1-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 907999
(1R,4aR,8aR)-1-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 51373432
(1S,4aS,8aS)-1-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 6542973
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol
CID 102289513
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
1-[(1S,4aS,8aR)-4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol?
The IUPAC name of 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol (CID 13085430) is 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol.
What is the SMILES notation for 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol?
The canonical SMILES for 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol is OC12CCCCC1N(c1ccccc1)C2c1ccccc1.
What is the InChIKey of 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol?
The InChIKey is YPPPUPDOFDVPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19-14-8-7-13-17(19)20(16-11-5-2-6-12-16)18(19)15-9-3-1-4-10-15/h1-6,9-12,17-18,21H,7-8,13-14H2.
What are the key properties of 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol?
7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diphenyl-7-azabicyclo[4.2.0]octan-1-ol is sourced from PubChem (CID 13085430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).