Basic information
- CAS
494801-91-1- Standard SMILES
CCCCCC1(C)CC(O)c2ccc(O)cc2O1- InChIKey
CZTYGKREMIRNDP-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-4,7-diol, 3,4-dihydro-2-methyl-2-pentyl-
- IUPAC
- 2-methyl-2-pentyl-3,4-dihydrochromene-4,7-diol
Names & synonyms
494801-91-12H-1-Benzopyran-4,7-diol, 3,4-dihydro-2-methyl-2-pentyl-CHEMBL148217DTXSID203334082-Methyl-2-pentylchromane-4,7-diol2-methyl-2-pentyl-chromane-4,7-diol2-Methyl-2-pentyl-3,4-dihydro-2H-1-benzopyran-4,7-diol
Database identifiers
- CAS
494801-91-1- PubChem CID
- 501656
- DTXSID
DTXSID20333408- ChEMBL
CHEMBL148217
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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