Basic information
- CAS
33583-02-7- Standard SMILES
Cc1ccc2c(C)ccc(C)c2c1O- InChIKey
AZPMPNRMONDTQN-UHFFFAOYSA-N- Molecular formula
- C13H14O
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.10446507
Overview
2,5,8-Trimethyl-1-Naphthol is a member of naphthols.
Names & identifiers
- Preferred name
- 2,5,8-Trimethyl-1-naphthol
- IUPAC
- 2,5,8-trimethylnaphthalen-1-ol
- English name
- 2,5,8-Trimethyl-1-naphthol
- Molecular formula
- C13H14O
- Molecular weight
- 186.25
Names & synonyms
2,5,8-TRIMETHYL-1-NAPHTHOL2,5,8-trimethylnaphthalen-1-ol33583-02-71-Naphthol, 2,5,8-trimethyl-SCHEMBL11907255DTXSID401872882,5,8-Trimethyl-1-naphthol #AZPMPNRMONDTQN-UHFFFAOYSA-NCHEBI:157721DB-2395391-Naphthalenol, 2,5,8-trimethyl-
Database identifiers
- CAS
33583-02-7- PubChem CID
- 36554
- DTXSID
DTXSID40187288- ChEBI
CHEBI:157721- Nikkaji
- J99.502I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 334.4 · 334.4±11.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 9.78 · 9.78±0.50(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2,5,8-Trimethyl-1-Naphthol is a member of naphthols.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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