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

C18H19NO2 — CID 135070930

IUPAC4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
SMILESOc1ccc([C@@H]2Nc3ccccc3[C@H]3OCCC[C@H]32)cc1
InChIInChI=1S/C18H19NO2/c20-13-9-7-12(8-10-13)17-15-5-3-11-21-18(15)14-4-1-2-6-16(14)19-17/h1-2,4,6-10,15,17-20H,3,5,11H2/t15-,17-,18+/m0/s1
InChIKeyMOYFXGNRZXFBAK-RYQLBKOJSA-N
MW281.36 g/mol
LogP4.03
Rot. Bonds1

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

4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol (PubChem CID 135070930) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol.

Molecular Properties

Compound Name4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
PubChem CID135070930
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
SMILESOc1ccc([C@@H]2Nc3ccccc3[C@H]3OCCC[C@H]32)cc1
InChIInChI=1S/C18H19NO2/c20-13-9-7-12(8-10-13)17-15-5-3-11-21-18(15)14-4-1-2-6-16(14)19-17/h1-2,4,6-10,15,17-20H,3,5,11H2/t15-,17-,18+/m0/s1
InChIKeyMOYFXGNRZXFBAK-RYQLBKOJSA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol?
The IUPAC name of 4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol (CID 135070930) is 4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol.
What is the SMILES notation for 4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol?
The canonical SMILES for 4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol is Oc1ccc([C@@H]2Nc3ccccc3[C@H]3OCCC[C@H]32)cc1.
What is the InChIKey of 4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol?
The InChIKey is MOYFXGNRZXFBAK-RYQLBKOJSA-N. The full InChI is InChI=1S/C18H19NO2/c20-13-9-7-12(8-10-13)17-15-5-3-11-21-18(15)14-4-1-2-6-16(14)19-17/h1-2,4,6-10,15,17-20H,3,5,11H2/t15-,17-,18+/m0/s1.
What are the key properties of 4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol?
4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol has a molecular weight of 281.36 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol is sourced from PubChem (CID 135070930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).