Basic information
- Standard SMILES
COc1ccc(C(O)CO)cc1O- InChIKey
FBDKAIYPFAFJHV-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Overview
1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol is a member of phenols and a member of methoxybenzenes.
Names & identifiers
- Preferred name
- Isomhpg
- IUPAC
- 1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol
- English name
- isoMHPG
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
Isomhpg40979-91-74-Methoxy-3-hydroxyphenylethylene glycolIsohydroxymethoxyphenylglycolIsomethoxyhydroxyphenylglycol1,2-Ethanediol, 1-(3-hydroxy-4-methoxyphenyl)-RefChem:9237371-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediolCHEMBL4099482SCHEMBL22785887SCHEMBL30988787
Show more names
DTXSID20961361CHEBI:1254123-hydroxy-4-methoxyphenylethylene glycolEN300-1853519BRD-A52530852-001-01-7Q27216029
Database identifiers
- CAS
213466-88-7、40979-91-7- PubChem CID
- 170451
- DTXSID
DTXSID20961361- ChEMBL
CHEMBL4099482- ChEBI
CHEBI:125412- Nikkaji
- J2.370.961I
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Melting Point97 - 98 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 412.7 · 412.7±45.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 9.73 · 9.73±0.10(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol is a member of methoxybenzenes and a member of phenols.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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