2'-Hydroxy-2-methoxychalcone
Basic information
- CAS
42220-77-9- Standard SMILES
COc1ccccc1/C=C/C(=O)c1ccccc1O- InChIKey
SNTIPKTZVAKPOX-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- 2'-Hydroxy-2-methoxychalcone
- IUPAC
- (E)-1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
- English name
- 2'-Hydroxy-2-methoxychalcone
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
2'-HYDROXY-2-METHOXYCHALCONE42220-77-9(E)-1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-oneRefChem:439666811-099-21-(2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one2'-?Hydroxy-?2-?methoxychalconeCHEMBL594854104236-72-82-Propen-1-one, 1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)-, (E)-2'-ydroxy--ethoxychalcone2'-ydroxy-2-ethoxychalcone
Show more names
2''-Hydroxy-2-methoxychalcone2''-Hydroxy-2-methoxychalcone, 10 mM in DMSO2-(2-Methoxybenzylidene)-2'-hydroxyacetophenone2-Propen-1-one, 1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)-2' ?Hydroxy ?2 ?methoxychalcone,Bacterial,Inhibitor,2'?Hydroxy?2?methoxychalcone,inhibit
2'-Hydroxy-2'-methoxychalconeorb1220377SCHEMBL5084268SNTIPKTZVAKPOX-ZHACJKMWSA-N(2E)-1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-oneBDBM50469118AKOS027379886AKOS037645264
Database identifiers
- CAS
42220-77-9- PubChem CID
- 5709142
- ChEMBL
CHEMBL594854- EC Number
- 811-099-2
- Nikkaji
- J1.363.751B、J462.001A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 112 · 112-113°C
- Boiling point
- 430.6 · 430.6±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- pka
- 7.71 · 7.71±0.30(Predicted)
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- InChI
- InChI=1S/C16H14O3/c1-19-16-9-5-2-6-12(16)10-11-15(18)13-7-3-4-8-14(13)17/h2-11,17H,1H3
- InChIKey
- SNTIPKTZVAKPOX-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1O)(=O)C=CC1=CC=CC=C1OC
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2914310000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses2'-Hydroxy-2-methoxychalcone (compound 3b) is a synthetic chalcone, with antimicrobial activity[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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