Basic information
- CAS
123769-43-7- Standard SMILES
O=C(c1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1- InChIKey
FBSZULXZPXLAOG-UHFFFAOYSA-N- Molecular formula
- C20H16O3
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.10994437
Names & identifiers
- Preferred name
- Methanone, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalenyl-
- IUPAC
- 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(naphthalen-2-yl)methanone
Names & synonyms
BRN 3616880Methanone, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalenyl-2H-1,5-Benzodioxepine, 3,4-dihydro-7-(2-naphthalenyl)-123769-43-7(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalenylmethanoneDTXSID30154080RefChem:352622DTXCID7076571TimTec1_004941Oprea1_719365HMS1548A13(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)(naphthalen-2-yl)methanone
Database identifiers
- CAS
123769-43-7- PubChem CID
- 680352
- DTXSID
DTXSID30154080
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…