11-(3-Chloropropylidene)-6,11-dihydrodibenzo[b,e]-oxepine

HCID 67069125

Basic information

Standard SMILES
ClCCC=C1c2ccccc2COc2ccccc21
InChIKey
BVTNIXZICFSSML-UHFFFAOYSA-N
Molecular formula
C17H15ClO
Average molar mass
270.8 g/mol
Monoisotopic mass
270.0811428

Names & identifiers

Preferred name
11-(3-Chloropropylidene)-6,11-dihydrodibenzo[b,e]-oxepine
IUPAC
11-(3-chloropropylidene)-6H-benzo[c][1]benzoxepine

Names & synonyms

SCHEMBL1539316BVTNIXZICFSSML-UHFFFAOYSA-N11-(3-chloropropylidene)-6,11-dihydrodibenzo[b,e]-oxepine11-(3-chloropropylidene)6,11-dihydrodibenzo-[b,e]-oxepine11-(3-chloropropylidene)-6,11-dihydrodibenzo- [b,e]-oxepine11-(3-chloropropylidene)-6,11-dihydrodibenzo-[b,e]-oxepine

Database identifiers

PubChem CID
67069125

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
19

Related reactions

3 records

Linked notes

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