2-(Hydroxymethyl)-4-methoxyphenol
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Basic information
- CAS
41951-76-2- Standard SMILES
COc1ccc(O)c(CO)c1- InChIKey
KCONKOTZXAFSAY-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-4-methoxyphenol
- IUPAC
- 2-(hydroxymethyl)-4-methoxyphenol
- English name
- 2-HYDROXY-5-METHOXYBENZYL ALCOHOL
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
2-(hydroxymethyl)-4-methoxyphenol41951-76-2DTXSID70333079RefChem:254152DTXCID502841712-Hydroxy-5-methoxybenzyl alcohol2-Hydroxymethyl-4-methoxy-phenol2-(hydroxymethyl)-4-methoxy-phenolMFCD002386165-Methoxysaligen2-hydroxy-5-methoxy-benzyl alcoholCHEMBL31187
Show more names
RARECHEM AL BD 00422-hydroxy-5-methoxyBenzenemethanolBenzenemethanol, 2-hydroxy-5-methoxy-2-HYDROXY-5-METHOXYBENZYL ALCOHOL(WXC08345)
SCHEMBL16389772-hydroxymethyl-4-methoxyphenolKCONKOTZXAFSAY-UHFFFAOYSA-N4-Methoxybenzyl alcohol, o-hydroxy-AKOS009411822FH67190AC-20733AS-61478
Database identifiers
- CAS
41951-76-2- PubChem CID
- 480253
- DTXSID
DTXSID70333079- ChEMBL
CHEMBL31187- Nikkaji
- J1.083.688C
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 80 · 80-81 °C(Solv: hexane (110-54-3))
- Boiling point
- 327.1 · 327.1±27.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 10.41 · 10.41±0.18(Predicted)
Related reactions
5 records
Compound notes
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