4H-Indeno(2,1-d)isoxazole, 3a,8b-dihydro-3-(p-tolyl)-
Basic information
- CAS
26718-19-4- Standard SMILES
Cc1ccc(C2=NOC3c4ccccc4CC23)cc1- InChIKey
CTOXHRZUUTVAFF-UHFFFAOYSA-N- Molecular formula
- C17H15NO
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.1153641
Names & identifiers
- Preferred name
- 4H-Indeno(2,1-d)isoxazole, 3a,8b-dihydro-3-(p-tolyl)-
- IUPAC
- 3-(4-methylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
Names & synonyms
BRN 09177093a,8b-Dihydro-3-(p-tolyl)-4H-indeno(2,1-d)isoxazole26718-19-44H-Indeno(2,1-d)isoxazole, 3a,8b-dihydro-3-(p-tolyl)-RefChem:2975953-(4-methylphenyl)-4,8b-dihydro-3ah-indeno[2,1-d][1,2]oxazoleDTXSID90949530
Database identifiers
- CAS
26718-19-4- PubChem CID
- 213547
- DTXSID
DTXSID90949530
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
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Compound notes
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