3-Bromo-11-methoxy-6,11-dihydrodibenz[b,e]oxepine

HCID 15093136
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Basic information

Standard SMILES
COC1c2ccccc2COc2cc(Br)ccc21
InChIKey
NVVURQDPMGYIFZ-UHFFFAOYSA-N
Molecular formula
C15H13BrO2
Average molar mass
305.17 g/mol

Names & identifiers

Preferred name
3-Bromo-11-methoxy-6,11-dihydrodibenz[b,e]oxepine
IUPAC
3-bromo-11-methoxy-6,11-dihydrobenzo[c][1]benzoxepine

Names & synonyms

SCHEMBL9047807NVVURQDPMGYIFZ-UHFFFAOYSA-N3-Bromo-11-methoxy-6,11-dihydrodibenz[b,e]oxepine

Database identifiers

PubChem CID
15093136

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
18

Related reactions

4 records
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Compound notes

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