Basic information
- CAS
63661-69-8- Standard SMILES
CC1(C)CC(C)(c2ccc(O)cc2)Oc2ccccc21- InChIKey
NEVGTLNXLAWUCT-UHFFFAOYSA-N- Molecular formula
- C18H20O2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.14632988
Names & identifiers
- Preferred name
- 4-(2,4,4-Trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)phenol
- IUPAC
- 4-(2,4,4-trimethyl-3H-chromen-2-yl)phenol
Names & synonyms
63661-69-84-(2,4,4-trimethyl-3,4-dihydro-2H-chromen-2-yl)phenol4-(2,4,4-Trimethylchroman-2-yl)phenolNSC2315704-(2,4,4-Trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)phenolSCHEMBL1837301SCHEMBL29525901DTXSID40310756NSC-231570AE-842/31985007
Database identifiers
- CAS
63661-69-8- PubChem CID
- 314282
- DTXSID
DTXSID40310756- Nikkaji
- J821.424G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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