Chemical ID: 3992607

CCCc1ccc(cc1)Oc2coc3cc(ccc3c2=O)O
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

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Descriptor Annotations

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