3-(Allyloxy)-10-ethyl-11-phenyl dibenz(b,f)oxepine
Basic information
- CAS
83807-07-2- Standard SMILES
C=CCOc1ccc2c(c1)Oc1ccccc1C(CC)=C2c1ccccc1- InChIKey
FLHHKPBRUGMVKM-UHFFFAOYSA-N- Molecular formula
- C25H22O2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.16197994
Names & identifiers
- Preferred name
- 3-(Allyloxy)-10-ethyl-11-phenyl dibenz(b,f)oxepine
- IUPAC
- 6-ethyl-5-phenyl-2-prop-2-enoxybenzo[b][1]benzoxepine
Names & synonyms
BRN 5611180DIBENZ(b,f)OXEPINE, 3-(ALLYLOXY)-10-ETHYL-11-PHENYL-Z1CP60928Q3-(Allyloxy)-10-ethyl-11-phenyldibenz(b,f,)oxepineUNII-Z1CP60928QDTXSID302326903-(Allyloxy)-10-ethyl-11-phenyl dibenz(b,f)oxepineDIBENZ(B,F)OXEPIN, 10-ETHYL-11-PHENYL-3-(2-PROPEN-1-YLOXY)-RefChem:198198DTXCID6015518183807-07-2CHEMBL15291
Show more names
3-allyloxy-10-ethyl-11-phenyldibenzo[b,f]oxepine10-Ethyl-11-phenyl-3-[(prop-2-en-1-yl)oxy]dibenzo[b,f]oxepine
Database identifiers
- CAS
83807-07-2- PubChem CID
- 55149
- DTXSID
DTXSID30232690- ChEMBL
CHEMBL15291- UNII
- Z1CP60928Q
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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