1-(3-Benzyloxy-4-methoxy-phenyl)-ethanone

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Basic information

CAS: 23428-77-5
Standard SMILES: COc1ccc(C(C)=O)cc1OCc1ccccc1
InChIKey: KENKREVUSRTHDA-UHFFFAOYSA-N
Molecular formula: C16H16O3
Average molar mass: 256.3 g/mol
Monoisotopic mass: 256.10994437

Names & identifiers

Preferred name: 1-(3-Benzyloxy-4-methoxy-phenyl)-ethanone
IUPAC: 1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
English name: Ethanone, 1-[4-Methoxy-3-(phenylMethoxy)phenyl]-
Molecular formula: C16H16O3
Molecular weight: 256.3

Names & synonyms

1-(3-BENZYLOXY-4-METHOXY-PHENYL)-ETHANONERefChem:423357683-865-21-(3-(Benzyloxy)-4-methoxyphenyl)ethanone23428-77-5Ethanone, 1-[4-methoxy-3-(phenylmethoxy)phenyl]-MFCD001832891-(4-methoxy-3-phenylmethoxyphenyl)ethanoneMLS0031071961-(3-Benzyloxy-4-methoxy-phenyl)ethanone1-(3-(benzyloxy)-4-methoxyphenyl)ethan-1-one1-[3-(Benzyloxy)-4-methoxyphenyl]ethan-1-one

Show more names

1-(3-(benzyloxy)-4-methoxyphenyl)ethylone

1-[3-(BENZYLOXY)-4-METHOXYPHENYL]ETHANONENSC204990SCHEMBL9236564CHEMBL2142452DTXSID80308571AKOS016013784DS-5579NSC-204990

Database identifiers

CAS: 23428-77-5
PubChem CID: 307190
DTXSID: DTXSID80308571
ChEMBL: CHEMBL2142452
EC Number: 683-865-2

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 284

Physicochemical properties

Melting point: 76 °C · 76 °C
Boiling point: 396.5 · 396.5±27.0 °C(Predicted)
Density: 1.115 · 1.115±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Powder
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-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.

GHS classification

GHS Classification · 4 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Downstream products

Ethanone,1-[2-amino-4-methoxy-5-(phenylmethoxy)phenyl]-Ethanone, 1-[4-Methoxy-2-nitro-5-(phenylMethoxy)phenyl]-

Related reactions

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New reaction record

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Compound notes

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