Basic information
- CAS
54845-41-9- Standard SMILES
CC(C)c1cc(CO)c(O)c(CO)c1- InChIKey
JOOOXGGAHUBKTL-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-
- IUPAC
- 2,6-bis(hydroxymethyl)-4-propan-2-ylphenol
- English name
- 2,6-Bis(hydroxymethyl)-4-isopropylphenol
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24
Names & synonyms
54845-41-91,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-2,6-Bis(hydroxymethyl)-4-isopropylphenol2,6-bis(hydroxymethyl)-4-(propan-2-yl)phenolSCHEMBL4455166SCHEMBL27536560DTXSID60336413JOOOXGGAHUBKTL-UHFFFAOYSA-N2,6-dihydroxymethyl-4-isopropylphenol2,6-Bis-hydroxymethyl-4-isopropylphenolDB-292313Phenol, 2,6-bis(hydroxymethyl)-4-isopropyl-
Database identifiers
- CAS
54845-41-9- PubChem CID
- 533648
- DTXSID
DTXSID60336413- Nikkaji
- J102.166D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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