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Chemical ID: 6875856
Chemical ID:
6875856
Name [?]:
7-[(4-bromophenyl)methoxy]-3-(2-ethylphenoxy)-chromen-4-one
SMILES [?]:
CCc1ccccc1Oc2coc3cc(ccc3c2=O)OCc4ccc(cc4)Br
InChi [?]:
InChI=1/C24H19BrO4/c1-2-17-5-3-4-6-21(17)29-23-15-28-22-13-19(11-12-20(22)24(23)26)27-14-16-7-9-18(25)10-8-16/h3-13,15H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,7,24,28,25,27,16,17,14,22,11,23,3,26,15,18,8,13,10,19,29,20,21,12,9/E:(7,8)(9,10)/rA:29nCCCCCCCCOCCOCCCCCCCOOCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19BrO4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4788 |
Area: | 625.192 |
Solvation: | -4.15098 |
Coulombic: | -34.6489 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 451.309 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.6 |
LogP (Chemaxon): | 6.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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