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Chemical ID: 3992607
Chemical ID:
3992607
Name [?]:
7-hydroxy-3-(4-propylphenoxy)-chromen-4-one
SMILES [?]:
CCCc1ccc(cc1)Oc2coc3cc(ccc3c2=O)O
InChi [?]:
InChI=1/C18H16O4/c1-2-3-12-4-7-14(8-5-12)22-17-11-21-16-10-13(19)6-9-15(16)18(17)20/h4-11,19H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,5,9,17,6,8,18,15,12,4,16,7,19,14,11,20,22,21,13,10/E:(4,5)(7,8)/rA:22nCCCCCCCCCOCCOCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7358 |
Area: | 493.921 |
Solvation: | -3.61222 |
Coulombic: | -41.662 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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