2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol

C20H23NO2 — CID 46881943

IUPAC2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol
SMILESOCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2
InChIInChI=1S/C20H23NO2/c22-11-10-14-8-9-18-17(13-14)20-16(7-4-12-23-20)19(21-18)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,16,19-22H,4,7,10-12H2/t16-,19-,20-/m0/s1
InChIKeyVCYDJZNSGMTMMC-VDGAXYAQSA-N
MW309.41 g/mol
LogP3.86
Rot. Bonds3

About 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol

2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol (PubChem CID 46881943) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol.

Molecular Properties

Compound Name2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol
PubChem CID46881943
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol
SMILESOCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2
InChIInChI=1S/C20H23NO2/c22-11-10-14-8-9-18-17(13-14)20-16(7-4-12-23-20)19(21-18)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,16,19-22H,4,7,10-12H2/t16-,19-,20-/m0/s1
InChIKeyVCYDJZNSGMTMMC-VDGAXYAQSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol?
The IUPAC name of 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol (CID 46881943) is 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol.
What is the SMILES notation for 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol?
The canonical SMILES for 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol is OCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2.
What is the InChIKey of 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol?
The InChIKey is VCYDJZNSGMTMMC-VDGAXYAQSA-N. The full InChI is InChI=1S/C20H23NO2/c22-11-10-14-8-9-18-17(13-14)20-16(7-4-12-23-20)19(21-18)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,16,19-22H,4,7,10-12H2/t16-,19-,20-/m0/s1.
What are the key properties of 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol?
2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol has a molecular weight of 309.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]ethanol is sourced from PubChem (CID 46881943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).