4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-methyl-2-nonyl-
Basic information
- CAS
62756-41-6- Standard SMILES
CCCCCCCCCC1(C)CC(=O)c2ccc(O)cc2O1- InChIKey
QXSOXXCVPXJEIJ-UHFFFAOYSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-methyl-2-nonyl-
- IUPAC
- 7-hydroxy-2-methyl-2-nonyl-3H-chromen-4-one
Names & synonyms
62756-41-64H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-methyl-2-nonyl-CHEMBL358336SCHEMBL11112069DTXSID803334097-Hydroxy-2-methyl-2-nonylchroman-4-one7-Hydroxy-2-methyl-2-nonyl-chroman-4-one7-Hydroxy-2-methyl-2-nonyl-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
62756-41-6- PubChem CID
- 501665
- DTXSID
DTXSID80333409- ChEMBL
CHEMBL358336
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
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Compound notes
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