4-(Benzyloxy)-2-hydroxybenzoic acid
Basic information
- CAS
5448-45-3- Standard SMILES
O=C(O)c1ccc(OCc2ccccc2)cc1O- InChIKey
JHMFYEFDCDOWFB-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-2-hydroxybenzoic acid
- IUPAC
- 2-hydroxy-4-phenylmethoxybenzoic acid
- English name
- 4-Benzyloxy-2-hydroxy-benzoic acid
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
4-(benzyloxy)-2-hydroxybenzoic acid5448-45-32-hydroxy-4-phenylmethoxybenzoic acid4-benzyloxy-2-hydroxy-benzoic acidBenzoicacid, 2-hydroxy-4-(phenylmethoxy)-MFCD021144502-Hydroxy-4-(phenylmethoxy)benzoic AcidCHEMBL1813374Benzoic acid, 2-hydroxy-4-(phenylmethoxy)-2-Hydroxy-4-(benzyloxy)benzoic Acid; 4-Benzyloxysalicylic Acid; NSC 17799; 4-(Benzyloxy)salicyclic Acid;NSC177992-Hydroxy-4-(benzyloxy)benzoic acid
Show more names
JR-13545, 4-(Benzyloxy)-2-hydroxybenzoic acid, 95%
4-benzyloxysalicylic acidSCHEMBL1519064RARECHEM AL BE 1511DTXSID102806394-(benzyloxy)-2-hydroxybenzoicacidBDBM50484152NSC 17799NSC-17799
Database identifiers
- CAS
5448-45-3- PubChem CID
- 226877
- DTXSID
DTXSID10280639- ChEMBL
CHEMBL1813374- Nikkaji
- J846.246A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 180 · 180-181.5 °C(Solv: benzene (71-43-2))
- Boiling point
- 436.2 · 436.2±35.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- solubility
- Chloroform; Methanol; Acetone
- form
- solid
- pka
- 3.21 · 3.21±0.10(Predicted)
- InChI
- 1S/C14H12O4/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)
- InChIKey
- JHMFYEFDCDOWFB-UHFFFAOYSA-N
- SMILES
- OC1=C(C(O)=O)C=CC(OCC2=CC=CC=C2)=C1
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H400
- Precautionary statements
- 273 · P273-P280-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H317-H319-H400
- Hazard Classifications
- Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P273-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Hydroxy-4-(phenylmethoxy)benzoic Acid is an intermediate used in the synthesis of 4-Hydroxy Flecainide (H942485), which is an analogue of Flecainide (F390000).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…