Notopterol
Properties
- Molecular formula
- C21H22O5
- Molar mass
- 354.40 g/mol
- Exact mass
- 354.1467 Da
- logP
- 4.58Crippen estimate
- Polar surface area
- 72.8 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 6
- Double bonds
- EE/Z, in SMILES order
Identifiers
CAS number
88206-46-6SMILES
CC(C)=CC(O)C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12InChIKey
BKIACVAZUKISOR-MKMNVTDBNA-NInChI
InChI=1/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-5-hydroxy-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(5-hydroxy-3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-(±)-
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-5-hydroxy-3,7-dimethyl-2,6-octadienyl]oxy]-
- 4-[[(2E)-5-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(5-hydroxy-3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-
Work with Notopterol
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds