Basic information
- CAS
59257-81-7- Standard SMILES
CC1(C)CC(c2ccccc2)c2ccc(O)cc2O1- InChIKey
STFVJAGVPMVNJE-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067982
Names & identifiers
- Preferred name
- 2,2-Dimethyl-7-hydroxy-4-phenylchroman
- IUPAC
- 2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-ol
Names & synonyms
2,2-dimethyl-7-hydroxy-4-phenylchroman59257-81-7CHEMBL3220415SCHEMBL11357106DTXSID00608843STFVJAGVPMVNJE-UHFFFAOYSA-N7-hydroxy-2,2-dimethyl-4-phenylchroman2,2-Dimethyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-7-ol
Database identifiers
- CAS
59257-81-7- PubChem CID
- 20570531
- DTXSID
DTXSID00608843- ChEMBL
CHEMBL3220415
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Related reactions
11 records
Compound notes
Loading…