Chemical Properties of Phellopterin (CAS 2543-94-4)

Phellopterin

InChI
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,8H2,1-3H3
InChI Key
BMLZFLQMBMYVHG-UHFFFAOYSA-N
Formula
C17H16O5
SMILES
COc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12
Molecular Weight1
300.31
CAS
2543-94-4
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Physical Properties

Property Value Unit Source
log10WS -4.61 Relay (1.0) Calculated Property
logPoct/wat 3.893 Crippen Calculated Property
McVol 217.060 ml/mol McGowan Calculated Property
Tfus 380.60 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

7H-furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-. 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-. 7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy-. (R)-9-((3,3-Dimethyl-2-oxiranyl)methoxy)-4-methoxyfuro(3,2-g)chromen-7-one. 8-geranyloxypsoralen. 4-([(2E)-3,7-dimethyl-2,6-octadienyl]oxy)-7h-furo[3,2-g]chromen-7-one. (R)-9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one. (S,Z)-3-Hydroxy-1-((9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)-3-methylbutan-2-yl 2-methylbut-2-enoate. 4,9-dimethoxypsoralen. pabulenol. pabulenol. 5-isopentenyloxy-7-methoxycoumarin. (Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy)butan-2-yl 2-methylbut-2-enoate. (R,Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)butan-2-yl 2-methylbut-2-enoate. heraclenol.

Find more compounds similar to Phellopterin.

Sources

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