Methyl 4-hydroxy-3-(3-methyl-2-butenyl)benzenepropanoate
Basic information
- CAS
219851-37-3- Standard SMILES
COC(=O)CCc1ccc(O)c(CC=C(C)C)c1- InChIKey
VFIMEMJFCJMRSC-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-3-(3-methyl-2-butenyl)benzenepropanoate
- IUPAC
- methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoate
Names & synonyms
219851-37-3Benzenepropanoic acid, 4-hydroxy-3-(3-methyl-2-butenyl)-, methyl esterMethyl 4-hydroxy-3-(3-methyl-2-butenyl)benzenepropanoateCHEMBL444505DTXSID70176403methyl 3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoate
Database identifiers
- CAS
219851-37-3- PubChem CID
- 154223
- DTXSID
DTXSID70176403- ChEMBL
CHEMBL444505
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…