1-(4-Hydroxyphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-14-one
Basic information
- CAS
5449-86-5- Standard SMILES
O=C1c2ccccc2C2(c3ccc(O)cc3)c3ccccc3Oc3cccc1c32- InChIKey
NRHNZYUUUZRFSU-UHFFFAOYSA-N- Molecular formula
- C26H16O3
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.10994437
Names & identifiers
- Preferred name
- 1-(4-Hydroxyphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-14-one
- IUPAC
- 1-(4-hydroxyphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-14-one
Names & synonyms
NSC164425449-86-5DTXSID70328283NSC-1644213b-(4-Hydroxyphenyl)naphtho[3,2,1-kl]xanthen-9(13bH)-one
Database identifiers
- CAS
5449-86-5- PubChem CID
- 408874
- DTXSID
DTXSID70328283
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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