Basic information
- CAS
3448-13-3- Standard SMILES
Cc1c(C(C)O)oc2ccc(C3=CC(=O)OC3)cc12- InChIKey
MQNWWJVIEQBJJO-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Names & identifiers
- Preferred name
- 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone
- IUPAC
- 3-[2-(1-hydroxyethyl)-3-methyl-1-benzofuran-5-yl]-2H-furan-5-one
- English name
- 4-[2-(1-hydroxyethyl)-3-methyl-5-benzofuryl]furan-2(5H)-one
- Molecular formula
- C15H14O4
- Molecular weight
- 258.27
Names & synonyms
Benfurodil3448-13-371DV8DHP4BRefChem:9120434-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone222-369-92-(1-Succinyloxyethyl)-3-methyl-5-(2-oxo-2,5-dihydro-4-furyl)benzo(b)furan3-[2-(1-hydroxyethyl)-3-methyl-1-benzofuran-5-yl]-2H-furan-5-one4-(2-(1-Hydroxyethyl)-3-methylbenzofuran-5-yl)furan-2(5H)-oneEINECS 222-369-9UNII-71DV8DHP4B4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuryl)furan-2(5H)-one
Show more names
4-[2-(1-hydroxyethyl)-3-methyl-5-benzofuryl]furan-2(5H)-one4-[2-(1-Hydroxyethyl)-3-methylbenzofuran-5-yl]-2(5H)-furanone2(5H)-Furanone, 4-[2-(1-hydroxyethyl)-3-methyl-5-benzofuranyl]-
SCHEMBL29406908DTXSID80956011MQNWWJVIEQBJJO-UHFFFAOYSA-NNS00048861Q272659562(5H)-FURANONE, 4-(2-(1-HYDROXYETHYL)-3-METHYL-5-BENZOFURANYL)4-[2-(1-Hydroxyethyl)-3-methyl-1-benzofuran-5-yl]furan-2(5H)-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Melting point
- 158 °C · 158 °C
- Boiling point
- 495.8 · 495.8±45.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 14.07 · 14.07±0.20(Predicted)
- FDA UNII
- 71 DV8DHP4B · 71DV8DHP4B
Chemistry & industry
Suppliers2 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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