Methanone, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)-
Basic information
- CAS
123769-56-2- Standard SMILES
O=C(c1ccc(O)cc1)c1ccc2c(c1)OCCCO2- InChIKey
XPMNVUCLVOVIQR-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- Methanone, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)-
- IUPAC
- 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-hydroxyphenyl)methanone
Names & synonyms
BRN 36211787-(p-Hydroxybenzoyl)-1,5-benzodioxepaneMethanone, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)methanone123769-56-2DTXSID10154083RefChem:352620DTXCID2076574
Database identifiers
- CAS
123769-56-2- PubChem CID
- 3078985
- DTXSID
DTXSID10154083
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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