Basic information
- Standard SMILES
CCCc1c(O)ccc2c1OC(C)(CCC(=O)OC)CC2=O- InChIKey
CKLSQEOWANTQPY-UHFFFAOYSA-N- Molecular formula
- C17H22O5
- Average molar mass
- 306.4 g/mol
Names & identifiers
- Preferred name
- methyl 3-(3,4-dihydro-7-hydroxy-2-methyl-4-oxo-8-propyl-2H-1-benzopyran-2-yl)propanoate
- IUPAC
- methyl 3-(7-hydroxy-2-methyl-4-oxo-8-propyl-3H-chromen-2-yl)propanoate
Names & synonyms
Maybridge1_002084Oprea1_159335SCHEMBL9821761HMS547G16CKLSQEOWANTQPY-UHFFFAOYSA-NCCG-41660SR-01000631720-1methyl 3-(3,4-dihydro-7-hydroxy-2-methyl-4-oxo-8-propyl-2H-1-benzopyran-2-yl)propanoate
Database identifiers
- PubChem CID
- 2801556
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
9 records
Compound notes
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