chempirical

1,3-Diethoxybenzene

C10H14O2CAS 2049-73-2166.22 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C10H14O2
Molar mass
166.22 g/mol
Exact mass
166.0994 Da
Melting point
12.4 °C
Boiling point
235 °C
logP
2.48Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
2049-73-2
SMILES
CCOc1cccc(OCC)c1
InChIKey
MKGFYMKFBCWNCP-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c1-3-11-9-6-5-7-10(8-9)12-4-2/h5-8H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzene, 1,3-diethoxy-
  • Benzene, m-diethoxy-
  • Resorcinol diethyl ether
  • m-Diethoxybenzene
  • NSC 4888
  • 2,4-Diethoxybenzene

Work with 1,3-Diethoxybenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Ethoxy-3-fluorobenzene458-03-772 % similar 1-Bromo-3-ethoxybenzene2655-84-769 % similar 3-Ethoxybenzenamine621-33-069 % similar 3-Ethoxyphenol621-34-169 % similar Ethyl phenyl ether103-73-168 % similar 3-Ethoxybenzaldehyde22924-15-862 % similar 3-Ethoxybenzonitrile25117-75-362 % similar 2-Ethoxynaphthalene93-18-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 (-)-Camphorquinone10334-26-6 Camphorquinone10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3A(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook