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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

CAS	1140968-46-2
1 2D Structure

CAS	1140968-46-2

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 Weight 284.3 g/mol
Molecular Formula C18H20O3
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area31
Heavy Atom Count21
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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