Basic information
- CAS
4143-72-0- Standard SMILES
COc1ccc(C(=O)CC(=O)c2ccccc2O)cc1- InChIKey
POADMRQYSLLTGQ-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-
- IUPAC
- 1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
- English name
- 1-(1-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
4143-72-01-(o-Hydroxyphenyl)-3-(p-methoxyphenyl)-1,3-propanedione1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-EINECS 223-967-2DTXSID5063318RefChem:415711DTXCID20399141-(2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)-1,3-propanedione1-(2-Hydroxy-phenyl)-3-(4-methoxy-phenyl)-propane-1,3-dione1-(1-Hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dioneMLS001204788
Show more names
1-(4-Methoxyphenyl)-3-(2-hydroxyphenyl)-1,3-propanedione
SCHEMBL312917CHEMBL1305259HMS1677M10HMS2817I18STL356143AKOS000603450NCGC00245239-01CL-68052
Database identifiers
- CAS
4143-72-0- PubChem CID
- 77792
- DTXSID
DTXSID5063318
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 111 °C · 111 °C
- Boiling point
- 475.5 · 475.5±30.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 7.77 · 7.77±0.30(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)- (4143-72-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers5 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
2 records
Compound notes
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