Basic information
- Standard SMILES
COc1cc(C(O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])cc1OC- InChIKey
YHCHBHKRATWOOO-UHFFFAOYSA-N- Molecular formula
- C18H21NO8
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.12671663
Names & identifiers
- Preferred name
- (4,5-Dimethoxy-2-nitro-phenyl)-(3,4,5-trimethoxy-phenyl)-methanol
- IUPAC
- (4,5-dimethoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanol
Names & synonyms
SCHEMBL210215YHCHBHKRATWOOO-UHFFFAOYSA-N(4,5-Dimethoxy-2-nitro-phenyl)-(3,4,5-trimethoxy-phenyl)-methanol
Database identifiers
- PubChem CID
- 11143380
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
Related reactions
6 records
Compound notes
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