(3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol

C17H17NO2 — CID 127045647

IUPAC(3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol
SMILESOc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccccc1)N2
InChIInChI=1S/C17H17NO2/c19-12-6-7-15-14(10-12)17-13(8-9-20-17)16(18-15)11-4-2-1-3-5-11/h1-7,10,13,16-19H,8-9H2/t13-,16+,17-/m0/s1
InChIKeyWBHIMUHOMSJLFB-XKQJLSEDSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds1

About (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol

(3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol (PubChem CID 127045647) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol.

Molecular Properties

Compound Name(3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol
PubChem CID127045647
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol
SMILESOc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccccc1)N2
InChIInChI=1S/C17H17NO2/c19-12-6-7-15-14(10-12)17-13(8-9-20-17)16(18-15)11-4-2-1-3-5-11/h1-7,10,13,16-19H,8-9H2/t13-,16+,17-/m0/s1
InChIKeyWBHIMUHOMSJLFB-XKQJLSEDSA-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': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol?
The IUPAC name of (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol (CID 127045647) is (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol.
What is the SMILES notation for (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol?
The canonical SMILES for (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol is Oc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccccc1)N2.
What is the InChIKey of (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol?
The InChIKey is WBHIMUHOMSJLFB-XKQJLSEDSA-N. The full InChI is InChI=1S/C17H17NO2/c19-12-6-7-15-14(10-12)17-13(8-9-20-17)16(18-15)11-4-2-1-3-5-11/h1-7,10,13,16-19H,8-9H2/t13-,16+,17-/m0/s1.
What are the key properties of (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol?
(3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-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 (3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-ol is sourced from PubChem (CID 127045647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).