Chemical ID: 4555114

CCCc1cc2c(cc1OCc3ccccc3)occ(c2=O)c4ccccc4
Chemical ID:
4555114
Name [?]:
7-benzyloxy-3-phenyl-6-propyl-chromen-4-one
SMILES [?]:
CCCc1cc2c(cc1OCc3ccccc3)occ(c2=O)c4ccccc4
InChi [?]:
InChI=1/C25H22O3/c1-2-9-20-14-21-24(15-23(20)27-16-18-10-5-3-6-11-18)28-17-22(25(21)26)19-12-7-4-8-13-19/h3-8,10-15,17H,2,9,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,26,14,16,25,27,3,13,17,24,28,5,8,11,19,12,23,4,6,20,9,7,21,22,10,18/E:(5,6)(7,8)(10,11)(12,13)/rA:28nCCCCCCCCCOCCCCCCCOCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s7;s18;d19;s6s20;d21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7333
Area:609.885
Solvation:-3.51381
Coulombic:-27.4214
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.44
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.42
LogP (Chemaxon):6.64

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Descriptor Annotations

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