3-Methoxy-4,5-dimethylphenol
Basic information
- CAS
146335-37-7- Standard SMILES
COc1cc(O)cc(C)c1C- InChIKey
FXWFDACDFREEHB-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 3-Methoxy-4,5-dimethylphenol
- IUPAC
- 3-methoxy-4,5-dimethylphenol
Names & synonyms
3-methoxy-4,5-dimethylphenol146335-37-7phenol, 3-methoxy-4,5-dimethyl-RefChem:94580InChI=1/C9H12O2/c1-6-4-8(10)5-9(11-3)7(6)2/h4-5,10H,1-3HSCHEMBL683246DTXSID801308483
Database identifiers
- CAS
146335-37-7- PubChem CID
- 643377
- DTXSID
DTXSID801308483
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
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Compound notes
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