Methyl 4-(Benzyloxy)-3-methoxybenzoate - CAS 56441-97-5

Name: Methyl 4-(Benzyloxy)-3-methoxybenzoate
Brand: BOC Sciences
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Catalog:	BB029361
Product Name:	Methyl 4-(Benzyloxy)-3-methoxybenzoate
CAS:	56441-97-5
Synonyms:	3-methoxy-4-phenylmethoxybenzoic acid methyl ester; methyl 3-methoxy-4-phenylmethoxybenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-methoxy-4-phenylmethoxybenzoate
Description:	Methyl 4-(Benzyloxy)-3-methoxybenzoate (CAS# 56441-97-5) is an intermediate in the synthesis of Clomiphene (C587025), an synthetic estrogen agonist-antagonist.
Molecular Weight:	272.30
Molecular Formula:	C16H16O4
Canonical SMILES:	COC1=C(C=CC(=C1)C(=O)OC)OCC2=CC=CC=C2
InChI:	InChI=1S/C16H16O4/c1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChI Key:	FPGZHXRPIFVQOL-UHFFFAOYSA-N
LogP:	3.06080

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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Publication Number	Title	Priority Date
CN-111253385-A	Heterocyclic compound, preparation method and application	20200212
US-10442809-B2	Methods for preparing substituted 12a,13-dihydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indol-6-ones	20170420
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Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.10485899
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.10485899
Rotatable Bond Count:	6
Topological Polar Surface Area:	44.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4