2-({2-[2-(3-methoxyphenyl)ethyl]phenoxy}methyl)oxirane | Drug Information, Uses, Side Effects, Pharma intermediate Chemistry

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2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane
Chemistry
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Also known as: 1140968-46-2, 2-({2-[2-(3-methoxyphenyl)ethyl]phenoxy}methyl)oxirane, 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane, Schembl4174576, Db-134264, 2-((2-(3-methoxyphenethyl)phenoxy)methyl)oxirane

Molecular Formula

C₁₈H₂₀O₃

Molecular Weight

284.3 g/mol

InChI Key

DPMWIGJMZMLAQD-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane

2.1.2 InChI

InChI=1S/C18H20O3/c1-19-16-7-4-5-14(11-16)9-10-15-6-2-3-8-18(15)21-13-17-12-20-17/h2-8,11,17H,9-10,12-13H2,1H3

2.1.3 InChI Key

DPMWIGJMZMLAQD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC3CO3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1140968-46-2

2. 2-({2-[2-(3-methoxyphenyl)ethyl]phenoxy}methyl)oxirane

3. 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane

4. Schembl4174576

5. Db-134264

6. 2-((2-(3-methoxyphenethyl)phenoxy)methyl)oxirane

2.3 Create Date

2015-02-12

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₀O₃
Molecular Weight	284.3 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	31
Heavy Atom Count	21
Formal Charge	0
Complexity	307
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane

2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane

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