1-(3,4-Dimethoxyphenyl)butan-1-ol
Basic information
- CAS
54419-22-6- Standard SMILES
CCCC(O)c1ccc(OC)c(OC)c1- InChIKey
CKASWWHFEGBUKB-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxyphenyl)butan-1-ol
- IUPAC
- 1-(3,4-dimethoxyphenyl)butan-1-ol
- English name
- 1-(3,4-dimethoxyphenyl)-1-butanol
- Molecular formula
- C12H18O3
- Molecular weight
- 210.27
Names & synonyms
1-(3,4-dimethoxyphenyl)butan-1-ol54419-22-61-(3,4-Dimethoxyphenyl)-1-butanolMFCD11521089NSC174871SCHEMBL5492854SCHEMBL7179479SCHEMBL7326986DTXSID103062823,4-Dimethoxy-a-propylbenzenemethanolAKOS010013943NSC-174871
Show more names
3,4-Dimethoxy-α-propylbenzenemethanolBenzenemethanol, 3,4-dimethoxy-α-propyl-
NS-02348AS-871/43477778F396853
Database identifiers
- CAS
54419-22-6- PubChem CID
- 300449
- DTXSID
DTXSID10306282
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36
- safety_code
- 26
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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