Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
1-Hydroxy-2,4-dimethoxynaphthalene
HCID
12563547
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
COc1cc(OC)c2ccccc2c1O
InChIKey
LDIZAOICCJHGQB-UHFFFAOYSA-N
Molecular formula
C12H12O3
Average molar mass
204.22 g/mol
Names & identifiers
Preferred name
1-Hydroxy-2,4-dimethoxynaphthalene
IUPAC
2,4-dimethoxynaphthalen-1-ol
Names & synonyms
SCHEMBL9627412
SCHEMBL21830342
LDIZAOICCJHGQB-UHFFFAOYSA-N
1-hydroxy-2,4-dimethoxynaphthalene
Database identifiers
PubChem CID
12563547
Properties
Computed structural properties
XLogP
3.4
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
207
Show all 8
Show all 8 / 8
Related reactions
11 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
207697
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
466212
As product
uspto-grants-1992_10
HRID
466213
As reactant
uspto-grants-1992_10
HRID
466214
As reactant
uspto-grants-1992_10
HRID
466215
As reactant
uspto-grants-1992_10
HRID
833981
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
845547
As product
uspto-grants-1988_07
HRID
845548
As reactant
uspto-grants-1988_07
Show 4 more
Page 1 of 2
Next
Compound notes
Loading…