Vicanicin
Basic information
- CAS
33211-22-2- Standard SMILES
COc1c(C)c2c(c(C)c1Cl)Oc1c(C)c(O)c(Cl)c(C)c1C(=O)O2- InChIKey
DJIUVCGPONSSSV-UHFFFAOYSA-N- Molecular formula
- C18H16Cl2O5
- Average molar mass
- 383.2 g/mol
- Monoisotopic mass
- 382.037479
Overview
Vicanicin is a carbonyl compound.
Names & identifiers
- Preferred name
- Vicanicin
- IUPAC
- 2,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethylbenzo[b][1,4]benzodioxepin-6-one
- English name
- 2,7-Dichloro-3-hydroxy-8-methoxy-1,4,6,9-tetramethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one
- Molecular weight
- 0
Names & synonyms
VICANICIN33211-22-22,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethylbenzo[b][1,4]benzodioxepin-6-one11H-Dibenzo(b,e)(1,4)dioxepin-11-one, 2,7-dichloro-3-hydroxy-8-methoxy-1,4,6,9-tetramethyl-FHW4YP3B2ZNSC-289106DTXSID501868632,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethylbenzo(b)(1,4)benzodioxepin-6-oneRefChem:194201DTXCID901093542,7-Dichloro-3-hydroxy-8-methoxy-1,4,6,9-tetramethyl-11H-dibenzo[b,e][1,4]dioxepin-11-oneNSC 289106
Show more names
NSC289106orb3023063SCHEMBL29934727CHEBI:198427TN9994
Database identifiers
- CAS
33211-22-2- PubChem CID
- 324269
- DTXSID
DTXSID50186863- ChEBI
CHEBI:198427- UNII
- FHW4YP3B2Z
- Nikkaji
- J20.822A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Physicochemical properties
- FDA UNII
- 4 YP3B2Z · FHW4YP3B2Z
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Related reactions
0 records
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Compound notes
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