Basic information
- CAS
3770-80-7- Standard SMILES
COc1cc(OC)c(C(=O)c2ccccc2)c(OC)c1- InChIKey
KFZFLPQFBYUOHV-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Overview
2,4,6-Trimethoxybenzophenone is a member of benzophenones.
Names & identifiers
- Preferred name
- Methylhydrocotoin
- IUPAC
- phenyl-(2,4,6-trimethoxyphenyl)methanone
- English name
- 2,4,6-Trimethoxybenzophenone
- Molecular formula
- C16H16O4
- Molecular weight
- 272.3
Names & synonyms
2,4,6-Trimethoxybenzophenone3770-80-7MethylhydrocotoinPhenyl(2,4,6-trimethoxyphenyl)methanoneMethanone, phenyl(2,4,6-trimethoxyphenyl)-EINECS 223-209-0789MD6GU47DTXSID8063179BENZOPHENONE, 2,4,6-TRIMETHOXY-RefChem:818626DTXCID1039395223-209-0
Show more names
PHLOROBENZOPHENONE TRIMETHYL ETHER
phenyl-(2,4,6-trimethoxyphenyl)methanoneUNII-789MD6GU47SCHEMBL2288468SCHEMBL27486328CHEBI:174583KFZFLPQFBYUOHV-UHFFFAOYSA-NAKOS024332998Phenyl(2,4,6-trimethoxyphenyl)-Methanone
Database identifiers
- CAS
3770-80-7- PubChem CID
- 77387
- DTXSID
DTXSID8063179- ChEBI
CHEBI:174583- UNII
- 789MD6GU47
- EC Number
- 223-209-0
- Nikkaji
- J217.669F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
Melting Point113 - 115 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 113 · 113–115°C
- FDA UNII
- 789 MD6GU47 · 789MD6GU47
- EPA Substance Registry System
- Methanone, phenyl(2,4,6-trimethoxyphenyl)- (3770-80-7)
- 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
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationMethanone, phenyl(2,4,6-trimethoxyphenyl)-: INACTIVE
Preparation methods
PreparationObtained by reaction of benzoyl chloride with 1,3,5-trimethoxybenzene in the –presence of aluminium chloride in ethyl ether, first between 0° and 5° for 1 h, then at r.t. for 15 h (46%).
Suppliers5 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Additional notes
DefinitionChEBI: 2,4,6-Trimethoxybenzophenone is a member of benzophenones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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