4'-(Benzyloxy)-3'-methoxyacetophenone - CAS 1835-11-6

Catalog:	BB014063
Product Name:	4'-(Benzyloxy)-3'-methoxyacetophenone
CAS:	1835-11-6
Synonyms:	1-(3-methoxy-4-phenylmethoxyphenyl)ethanone; 1-(3-methoxy-4-phenylmethoxyphenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(3-methoxy-4-phenylmethoxyphenyl)ethanone
Description:	Intermediate in the preparation of Epinephrine metabolites.
Molecular Weight:	256.30
Molecular Formula:	C16H16O3
Canonical SMILES:	CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
InChI:	InChI=1S/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChI Key:	HRUAWSQBQLYDKH-UHFFFAOYSA-N
Boiling Point:	396.5 °C at 760 mmHg
Density:	1.115 g/cm³
MDL:	MFCD00017326
LogP:	3.47680

Publication Number	Title	Priority Date
CN-110642691-A	Preparation method and application of apocynin and derivatives thereof	20190823
WO-2020104648-A2	TGFÎ² INHIBITOR AND PRODRUGS	20181122
CN-113347965-A	TGF-beta inhibitors and prodrugs	20181122
EP-3883556-A2	Tgf? inhibitor and prodrugs	20181122
US-2021163445-A1	Carbamate and urea compounds as multikinase inhibitors	20171220

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Related Functional Groups

Carbonyl Compounds

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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.109944368
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.109944368
Rotatable Bond Count:	5
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3