3,4-Dimethoxy-alpha-(phenoxymethyl)benzenemethanol
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Basic information
- CAS
183303-74-4- Standard SMILES
COc1ccc(C(O)COc2ccccc2)cc1OC- InChIKey
ZSNFCERRTBKHGN-UHFFFAOYSA-N- Molecular formula
- C16H18O4
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.12050905
Names & identifiers
- Preferred name
- 3,4-Dimethoxy-alpha-(phenoxymethyl)benzenemethanol
- IUPAC
- 1-(3,4-dimethoxyphenyl)-2-phenoxyethanol
- English name
- 1-(3,4-Dimethoxyphenyl)-2-phenoxyethanol
- Molecular formula
- C16H18O4
- Molecular weight
- 274.31
Names & synonyms
183303-74-43,4-Dimethoxy-alpha-(phenoxymethyl)benzenemethanolRefChem:2711141-(3,4-dimethoxyphenyl)-2-phenoxyethanol1-(3,4-dimethoxyphenyl)-2-phenoxyethan-1-olMFCD328567931-(3,4-dimethoxyphenyl)-2-phenoxy-ethanolSCHEMBL29199598SCHEMBL30892511DTXSID401249734AKOS009160730BS-46452
Show more names
Benzenemethanol, 3,4-dimethoxy-α-(phenoxymethyl)-
CS-0163188E752193,4-Dimethoxy-|A-(phenoxymethyl)benzenemethanolF6933923,4-Dimethoxy-I+/--(phenoxymethyl)benzenemethanol
Database identifiers
- CAS
183303-74-4- PubChem CID
- 11065637
- DTXSID
DTXSID401249734- Nikkaji
- J755.060J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 440.2 · 440.2±45.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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