Basic information
- CAS
4254-17-5- Standard SMILES
COc1ccc(C(=O)C(O)c2ccccc2)cc1- InChIKey
PVSFIFPJPUEHPO-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 2-Hydroxy-1-(4-methoxyphenyl)-2-phenylethanone
- IUPAC
- 2-hydroxy-1-(4-methoxyphenyl)-2-phenylethanone
- English name
- 4-Methoxybenzoin
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
4254-17-52-hydroxy-1-(4-methoxyphenyl)-2-phenylethanoneRefChem:10633224-METHOXYBENZOIN2-hydroxy-1-(4-methoxyphenyl)-2-phenyl-ethanoneBenzansoin2-hydroxy-1-(4-methoxyphenyl)-2-phenylethan-1-oneNSC26659HDInhib_000076SCHEMBL812736DTXSID00274406PVSFIFPJPUEHPO-UHFFFAOYSA-N
Show more names
BENZANISOINHydroxy(phenyl)methyl 4-methoxyphenyl ketoneEthanone, 2-hydroxy-1-(4-methoxyphenyl)-2-phenyl-4-((2-bromo-[1,1-bipheny1]-3-y1)methoxy)-5-ch1oro-2-hydroxybenza1dehyde
NSC57856NSC 26659NSC 57856NSC-26659NSC-57856AKOS000365287AKOS016038142FM71104
Database identifiers
- CAS
4254-17-5- PubChem CID
- 3791
- DTXSID
DTXSID00274406- Nikkaji
- J1.178.301E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 108 °C · 108 °C
- Boiling point
- 421 · 421.0±30.0 °C(Predicted)
- Density
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- pka
- 12.07 · 12.07±0.20(Predicted)
- InChI
- InChI=1S/C15H14O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10,14,16H,1H3
- InChIKey
- PVSFIFPJPUEHPO-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(OC)C=C1)C(O)C1=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Methoxybenzoin is used in preparation of Benzofuran-2-one compounds useful for the treatment of cancer.
Suppliers11 total
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
四川山冈生物医药科技有限公司13990000934,13076045191 13990000934 · [email protected]
郑州灵之悦科技有限公司+86-0371-55074660 · [email protected]
Related reactions
16 records
Compound notes
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