(2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine

C24H20O3 — CID 23262025

IUPAC(2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine
SMILESCCO[C@@H]1Oc2cc3cc4ccccc4cc3cc2O[C@H]1c1ccccc1
InChIInChI=1S/C24H20O3/c1-2-25-24-23(16-8-4-3-5-9-16)26-21-14-19-12-17-10-6-7-11-18(17)13-20(19)15-22(21)27-24/h3-15,23-24H,2H2,1H3/t23-,24+/m0/s1
InChIKeyNHVYBAYXQNCGEV-BJKOFHAPSA-N
MW356.42 g/mol
LogP5.87
Rot. Bonds3

About (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine

(2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine (PubChem CID 23262025) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine.

Molecular Properties

Compound Name(2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine
PubChem CID23262025
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name(2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine
SMILESCCO[C@@H]1Oc2cc3cc4ccccc4cc3cc2O[C@H]1c1ccccc1
InChIInChI=1S/C24H20O3/c1-2-25-24-23(16-8-4-3-5-9-16)26-21-14-19-12-17-10-6-7-11-18(17)13-20(19)15-22(21)27-24/h3-15,23-24H,2H2,1H3/t23-,24+/m0/s1
InChIKeyNHVYBAYXQNCGEV-BJKOFHAPSA-N
XLogP5.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine?
The IUPAC name of (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine (CID 23262025) is (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine.
What is the SMILES notation for (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine?
The canonical SMILES for (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine is CCO[C@@H]1Oc2cc3cc4ccccc4cc3cc2O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine?
The InChIKey is NHVYBAYXQNCGEV-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H20O3/c1-2-25-24-23(16-8-4-3-5-9-16)26-21-14-19-12-17-10-6-7-11-18(17)13-20(19)15-22(21)27-24/h3-15,23-24H,2H2,1H3/t23-,24+/m0/s1.
What are the key properties of (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine?
(2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine has a molecular weight of 356.42 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine is sourced from PubChem (CID 23262025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).