Isochroman

C9H10OCAS 493-05-0134.18 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Density
1.068 g/mL (at 17.5 °C)
Boiling point
67–69 °C (at 2 Torr)
logP
1.76Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 11 ECHA notifiers. Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
493-05-0
SMILES
c1ccc2c(c1)CCOC2
InChIKey
HEBMCVBCEDMUOF-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2

Weigh it out

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

Names and synonyms

7 names
  • 1H-2-Benzopyran, 3,4-dihydro-
  • 3,4-Dihydro-1H-2-benzopyran
  • NSC 63362
  • 1,2,3,4-Tetrahydrobenzo[c]pyran
  • 3,4-Dihydro-1H-isochromene
  • 3,4-Dihydro-1H-benzo[c]pyran
  • Isochromane

Work with Isochroman

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

Phthalane496-14-065 % similar Benzocyclobutene694-87-150 % similar Dihydrobenzofuran496-16-246 % similar Tetralin119-64-245 % similar Indane496-11-745 % similar 3,4-Dihydroisocoumarin4702-34-542 % similar 2,3,4,5-Tetrahydro-1H-benzo(d)azepine4424-20-840 % similar 3,4-Dihydro-1H-2-benzopyran-4-one20924-56-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetone103-79-7 Hydrocinnamaldehyde104-53-0 Cinnamyl alcohol104-54-1 (4-Vinylphenyl)methanol1074-61-9 2,6-Dimethylbenzaldehyde1123-56-4 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook