2,4-Hexanediol, 2-methyl-4-phenyl-
Basic information
- CAS
21133-90-4- Standard SMILES
CCC(O)(CC(C)(C)O)c1ccccc1- InChIKey
PTQRSJSVYDMWEE-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 2,4-Hexanediol, 2-methyl-4-phenyl-
- IUPAC
- 2-methyl-4-phenylhexane-2,4-diol
- English name
- 2-Methyl-4-phenyl-2,4-hexanediol
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
21133-90-42,4-HEXANEDIOL, 2-METHYL-4-PHENYL-RefChem:10598322-Methyl-4-phenyl-2,4-hexanediol2-methyl-4-phenylhexane-2,4-diolRD 6020BRN 2367251DTXSID80943461
Database identifiers
- CAS
21133-90-4- PubChem CID
- 30498
- DTXSID
DTXSID80943461- Nikkaji
- J49.398H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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