3,4-Dimethoxy-5-nitrobenzhydrol

HCID 21458992
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Basic information

Standard SMILES
COc1cc(C(O)c2ccccc2)cc([N+](=O)[O-])c1OC
InChIKey
BKKISNMUAMTJJB-UHFFFAOYSA-N
Molecular formula
C15H15NO5
Average molar mass
289.28 g/mol

Names & identifiers

Preferred name
3,4-Dimethoxy-5-nitrobenzhydrol
IUPAC
(3,4-dimethoxy-5-nitrophenyl)-phenylmethanol

Names & synonyms

SCHEMBL87260113,4-dimethoxy-5-nitrobenzhydrolBKKISNMUAMTJJB-UHFFFAOYSA-N

Database identifiers

PubChem CID
21458992

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
84.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

Related reactions

12 records
New reaction record

Compound notes

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