chempirical

1,4-Dihydro-1,4-epoxynaphthalene

C10H8OCAS 573-57-9144.17 g/mol

Open in Covalent MOL file
O
AlkeneEther

Properties

Molecular formula
C10H8O
Molar mass
144.17 g/mol
Exact mass
144.0575 Da
Melting point
40 °C
Boiling point
104–105 °C (at 9 Torr)
logP
2.37Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
573-57-9
SMILES
C1=CC2OC1c1ccccc12
InChIKey
JWCGDNHAPBZVHD-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O/c1-2-4-8-7(3-1)9-5-6-10(8)11-9/h1-6,9-10H

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Names and synonyms

8 names
  • 1,4-Epoxynaphthalene, 1,4-dihydro-
  • 1,4-Dihydronaphthalene-1,4-endo-oxide
  • 1,4-Epoxy-1,4-dihydronaphthalene
  • 7-Oxabenzonorbornadiene
  • 1,4-Dihydronaphthalene-1,4-oxide
  • 1,4-Dihydronaphthalene-1,4-epoxide
  • NSC 101863
  • Benzooxanorbornadiene

Work with 1,4-Dihydro-1,4-epoxynaphthalene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetrabromo-O-xylene13209-15-935 % similar 1,2-Bis(dichloromethyl)benzene25641-99-035 % similar trans-Stilbene oxide1439-07-233 % similar Xanthydrol90-46-032 % similar Fluorenol1689-64-131 % similar 9-Bromofluorene1940-57-431 % similar Fluoren-9-amine525-03-131 % similar 2-Cyclohexylbenzaldehyde128323-04-630 % similar

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

Same formula

2-Naphthol135-19-3 4-Phenyl-3-butyn-2-one1817-57-8 1-Naphthol90-15-3

Elsewhere

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