Chemical ID: 4567414

CC(=CCOc1ccc2c(c1)occ(c2=O)c3ccccc3)C
Chemical ID:
4567414
Name [?]:
7-(3-methylbut-2-enoxy)-3-phenyl-chromen-4-one
SMILES [?]:
CC(=CCOc1ccc2c(c1)occ(c2=O)c3ccccc3)C
InChi [?]:
InChI=1/C20H18O3/c1-14(2)10-11-22-16-8-9-17-19(12-16)23-13-18(20(17)21)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,20,19,21,18,22,7,8,3,4,11,13,2,17,6,9,14,10,15,16,5,12/E:(1,2)(4,5)(6,7)/rA:23nCCCCOCCCCCCOCCCOCCCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s9s14;d15;s14;s17;d18;s19;d20;d17s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.81724
Area:524.686
Solvation:-3.29992
Coulombic:-26.0801
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.355
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.65
LogP (Chemaxon):4.85

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Descriptor Annotations

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