Completing data — usually done within a minute
Basic information
- CAS
62550-61-2- Standard SMILES
CC(C)(O)CC(c1ccc(O)cc1O)c1cccc2ccccc12- InChIKey
SUVBZSPHWXZDLL-UHFFFAOYSA-N- Molecular formula
- C21H22O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.15689456
Names & identifiers
- Preferred name
- 4-[3-Hydroxy-3-methyl-1-(naphthalen-1-yl)butyl]benzene-1,3-diol
- IUPAC
- 4-(3-hydroxy-3-methyl-1-naphthalen-1-ylbutyl)benzene-1,3-diol
Names & synonyms
62550-61-2SCHEMBL11369304DTXSID20608845SUVBZSPHWXZDLL-UHFFFAOYSA-N4-[3-Hydroxy-3-methyl-1-(naphthalen-1-yl)butyl]benzene-1,3-diol4-(2,4-dihydroxyphenyl)-2-methyl-4-(1-naphthyl)-2-butanol
Database identifiers
- CAS
62550-61-2- PubChem CID
- 20570545
- DTXSID
DTXSID20608845
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
6 records
Compound notes
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