Basic information
- CAS
471295-16-6- Standard SMILES
C=CC(C)(C)C=Cc1ccc(O)cc1- InChIKey
DKVQOAMBVKKPAM-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 4-(3,3-Dimethylpenta-1,4-dienyl)phenol
- IUPAC
- 4-(3,3-dimethylpenta-1,4-dienyl)phenol
Names & synonyms
4-(3,3-dimethylpenta-1,4-dienyl)phenol471295-16-6DTXSID60327942NCI60_0376434-(3,3-DIMETHYLPENTA-1,4-DIEN-1-YL)PHENOL
Database identifiers
- CAS
471295-16-6- PubChem CID
- 397484
- DTXSID
DTXSID60327942
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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