(3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol

C17H17NO2 — CID 124637225

IUPAC(3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol
SMILESOc1cccc2c1N[C@H](c1ccccc1)[C@H]1CCO[C@H]21
InChIInChI=1S/C17H17NO2/c19-14-8-4-7-12-16(14)18-15(11-5-2-1-3-6-11)13-9-10-20-17(12)13/h1-8,13,15,17-19H,9-10H2/t13-,15-,17-/m1/s1
InChIKeyOWYBYIRQJYHJLT-FRFSOERESA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds1

About (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol

(3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol (PubChem CID 124637225) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol.

Molecular Properties

Compound Name(3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol
PubChem CID124637225
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol
SMILESOc1cccc2c1N[C@H](c1ccccc1)[C@H]1CCO[C@H]21
InChIInChI=1S/C17H17NO2/c19-14-8-4-7-12-16(14)18-15(11-5-2-1-3-6-11)13-9-10-20-17(12)13/h1-8,13,15,17-19H,9-10H2/t13-,15-,17-/m1/s1
InChIKeyOWYBYIRQJYHJLT-FRFSOERESA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol?
The IUPAC name of (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol (CID 124637225) is (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol.
What is the SMILES notation for (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol?
The canonical SMILES for (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol is Oc1cccc2c1N[C@H](c1ccccc1)[C@H]1CCO[C@H]21.
What is the InChIKey of (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol?
The InChIKey is OWYBYIRQJYHJLT-FRFSOERESA-N. The full InChI is InChI=1S/C17H17NO2/c19-14-8-4-7-12-16(14)18-15(11-5-2-1-3-6-11)13-9-10-20-17(12)13/h1-8,13,15,17-19H,9-10H2/t13-,15-,17-/m1/s1.
What are the key properties of (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol?
(3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol has a molecular weight of 267.33 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol is sourced from PubChem (CID 124637225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).