(4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine

C16H16BrNO2 — CID 134936224

IUPAC(4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine
SMILESCCO[C@H]1C[C@H](Br)C(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C16H16BrNO2/c1-2-19-15-10-14(17)16(18-20-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-15H,2,10H2,1H3/t14-,15+/m0/s1
InChIKeyMZSRJEKOMMMCOB-LSDHHAIUSA-N
MW334.21 g/mol
LogP4.09
Rot. Bonds3

About (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine

(4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine (PubChem CID 134936224) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name(4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine
PubChem CID134936224
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine
SMILESCCO[C@H]1C[C@H](Br)C(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C16H16BrNO2/c1-2-19-15-10-14(17)16(18-20-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-15H,2,10H2,1H3/t14-,15+/m0/s1
InChIKeyMZSRJEKOMMMCOB-LSDHHAIUSA-N
XLogP4.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine?
The IUPAC name of (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine (CID 134936224) is (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine?
The canonical SMILES for (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine is CCO[C@H]1C[C@H](Br)C(c2ccc3ccccc3c2)=NO1.
What is the InChIKey of (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine?
The InChIKey is MZSRJEKOMMMCOB-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-2-19-15-10-14(17)16(18-20-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-15H,2,10H2,1H3/t14-,15+/m0/s1.
What are the key properties of (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine?
(4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine has a molecular weight of 334.21 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-bromo-6-ethoxy-3-naphthalen-2-yl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 134936224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).