Basic information
- CAS
14814-17-6- Standard SMILES
O=C(c1ccccc1)c1ccc(OCCO)cc1- InChIKey
PNTLMFABGCHLMN-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.09429431
Names & identifiers
- Preferred name
- [4-(2-Hydroxyethoxy)phenyl](phenyl)methanone
- IUPAC
- [4-(2-hydroxyethoxy)phenyl]-phenylmethanone
- English name
- (4-(2-hydroxyethoxy)phenyl)(phenyl)methanone
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
(4-(2-Hydroxyethoxy)phenyl)(phenyl)methanone4-(2-Hydroxyethoxy)benzophenone[4-(2-hydroxyethoxy)phenyl](phenyl)methanoneDTXSID10933315RefChem:550987DTXCID001361984810-808-214814-17-6[4-(2-hydroxyethoxy)phenyl]-phenylmethanoneMethanone, [4-(2-hydroxyethoxy)phenyl]phenyl-MFCD00623913[4-(2-Hydroxyethoxy)phenyl]phenylmethanone
Show more names
(4-(2-hydroxyethoxy)phenyl)(phenyl)2-(4-benzoylphenoxy)-1-hydroxyethane
Methanone, (4-(2-hydroxyethoxy)phenyl)phenyl-[4-(2-Hydroxyethoxy)phenyl]phenyl-methanone; 4-(2-Hydroxyethoxy)-benzophenone; 1-Hydroxy-2-(4-benzoylphenoxy)ethane; 2-(4-Benzoylphenoxy)ethanol; 4-(2-Hydroxyethoxy)benzophenone; [4-(2-(Hydroxy)ethoxy)phenyl]phenylmethanoneOprea1_326139Oprea1_466844MLS000712218CHEMBL74930SCHEMBL8870494-(2-hydroxyethoxy)-benzophenone
Database identifiers
- CAS
14814-17-6- PubChem CID
- 3090643
- DTXSID
DTXSID10933315- ChEMBL
CHEMBL74930
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 79 · 79-80 °C(Solv: heptane (142-82-5))
- Boiling point
- 421 · 421.0±25.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Dichloromethane, DMSO, Methanol
- form
- Solid
- pka
- 14.14 · 14.14±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C15H14O3/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9,16H,10-11H2
- InChIKey
- PNTLMFABGCHLMN-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(OCCO)C=C1)(C1=CC=CC=C1)=O
- EPA Substance Registry System
- 4 · 4-(2-Hydroxyethoxy)benzophenone (14814-17-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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 ClassificationNot Classified
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 14-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27096
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses[4-(2-Hydroxyethoxy)phenyl]phenylmethanone is an intermediate in the synthesis of E-Ospemifene (O703005). E-Ospemifene is the E-isomer of Ospemifene (O703000) and is useful for lowering serum cholesterol. It acts as an anti-atherosclerotic and is also estrogen-like.
Upstream & downstream products
Upstream raw materials
Suppliers37 total
湖北博杰生物科技有限公司0713-2060728 15629612610
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
12 records
Compound notes
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