4-Bromo-3,5-dihydroxy-2-(2-methyl-allyl)-benzoic acid methyl ester
Basic information
- Standard SMILES
C=C(C)Cc1c(C(=O)OC)cc(O)c(Br)c1O- InChIKey
VPWUHTRQJVRVOE-UHFFFAOYSA-N- Molecular formula
- C12H13BrO4
- Average molar mass
- 301.13 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-3,5-dihydroxy-2-(2-methyl-allyl)-benzoic acid methyl ester
- IUPAC
- methyl 4-bromo-3,5-dihydroxy-2-(2-methylprop-2-enyl)benzoate
Names & synonyms
SCHEMBL644182VPWUHTRQJVRVOE-UHFFFAOYSA-NDB-4025064-Bromo-3,5-dihydroxy-2-(2-methyl-allyl)-benzoic acid methyl esterMethyl 4-bromo-3,5-dihydroxy-2-(2-methyl-2-propen-1-yl)benzoate955885-81-1
Database identifiers
- PubChem CID
- 59560378
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
5 records
Compound notes
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