Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate
Completing data — refresh the page later to see the latest
Basic information
- CAS
127725-14-8- Standard SMILES
COC(=O)c1c(C)cc(OCc2ccccc2)c(I)c1O- InChIKey
IZKPTCANVFJZQF-UHFFFAOYSA-N- Molecular formula
- C16H15IO4
- Average molar mass
- 398.19 g/mol
- Monoisotopic mass
- 398.00151
Overview
structure given in first source
Names & identifiers
- Preferred name
- Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate
- IUPAC
- methyl 2-hydroxy-3-iodo-6-methyl-4-phenylmethoxybenzoate
- English name
- methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate
- Molecular formula
- C16H15IO4
- Molecular weight
- 398.19
Names & synonyms
Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoateBHIM127725-14-8DTXSID30155638RefChem:925678DTXCID9078129methyl 2-hydroxy-3-iodo-6-methyl-4-phenylmethoxybenzoateSCHEMBL29387213Methyl 2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)benzoateMETHYL 4-(BENZYLOXY)-2-HYDROXY-3-IODO-6-METHYLBENZOATEBenzoic acid, 2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)-, methyl esterInChI=1/C16H15IO4/c1-10-8-12(21-9-11-6-4-3-5-7-11)14(17)15(18)13(10)16(19)20-2/h3-8,18H,9H2,1-2H
Database identifiers
- CAS
127725-14-8- PubChem CID
- 124454
- DTXSID
DTXSID30155638
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 149 °C · 149 °C(Solv: ethanol (64-17-5))
- Boiling point
- 435.7 · 435.7±45.0 °C(Predicted)
- Density
- 1.6 · 1.600±0.06 g/cm3(Predicted)
- pka
- 8.04 · 8.04±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…