Phellopterin
Properties
- Molecular formula
- C17H16O5
- Molar mass
- 300.31 g/mol
- Exact mass
- 300.0998 Da
- Melting point
- 102 °C
- logP
- 3.89Crippen estimate
- Polar surface area
- 61.8 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
2543-94-4SMILES
COc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12InChIKey
BMLZFLQMBMYVHG-UHFFFAOYSA-NInChI
InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-9-[(3-methyl-2-buten-1-yl)oxy]-
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-9-[(3-methyl-2-butenyl)oxy]-
- 5-Benzofuranacrylic acid, 6-hydroxy-4-methoxy-7-[(3-methyl-2-butenyl)oxy]-, δ-lactone
- 4-Methoxy-9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
- (5-Methoxy-8)-γ,γ-dimethylallyloxy(2′,3′,6,7-furanocoumarin)
- NSC 152469
Work with Phellopterin
Similar compounds
Isopimpinellin482-27-967 % similar
Imperatorin482-44-064 % similar
Isoimperatorin482-45-161 % similar
Pimpinellin131-12-459 % similar
Byakangelicol26091-79-259 % similar
8-Geranyloxypsoralen7437-55-054 % similar
Bergamottin7380-40-752 % similar
Bergapten484-20-847 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.