1-Methoxy-3-phenoxybenzene

HCID 74252CAS 1655-68-1

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Basic information

Standard SMILES: COc1cccc(Oc2ccccc2)c1
InChIKey: CBVXNDCIOLXDFD-UHFFFAOYSA-N
Molecular formula: C13H12O2
Average molar mass: 200.23 g/mol
Monoisotopic mass: 200.08372962

Names & identifiers

Preferred name: 1-Methoxy-3-phenoxybenzene
IUPAC: 1-methoxy-3-phenoxybenzene
English name: m-phenoxyanisole
Molecular formula: C13H12O2
Molecular weight: 200.23

Names & synonyms

1-Methoxy-3-phenoxybenzene1655-68-13-PhenoxyanisoleBenzene, 1-methoxy-3-phenoxy-3-Methoxydiphenyl etherEINECS 216-748-81M0VG5IZH1NSC 57097NSC-57097UNII-1M0VG5IZH1Benzene, 1-methoxy-3-phenyloxyDTXSID7061851

Show more names

m-phenoxyanisole3-Phenoxyanisole,97%Phenyl 3-methoxyphenyl etherPhenyl(3-methoxyphenyl) etherm-Methoxyphenyl(phenyl) etherN-Phenyl-bis(trifluoromethylsulfonamide)

RefChem:76158DTXCID6035316216-748-8CBVXNDCIOLXDFD-UHFFFAOYSA-Nm-Methoxyphenyl phenyl etherm-Phenoxymethoxybenzene3-Methoxyphenoxybenzenem-Phenoxyphenol monomethyl ether

Database identifiers

CAS: 1655-68-1
PubChem CID: 74252
DTXSID: DTXSID7061851
UNII: 1M0VG5IZH1
EC Number: 216-748-8
Nikkaji: J117.512B

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 175

Physicochemical properties

Boiling point: 175 °C · 175 °C(Press: 20 Torr)
Density: 1.088 · 1.088±0.06 g/cm3(Predicted)
RTECS: 5350200 · DA5350200
refractive index: 1.579 · 1.5790
Water Solubility: Insoluble in water.
FDA UNII: 1 M0VG5IZH1 · 1M0VG5IZH1
EPA Substance Registry System: 1 · Benzene, 1-methoxy-3-phenoxy- (1655-68-1)
TSCA: TSCA listed