Chemical ID: 6836133

CCc1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)O)CC
Chemical ID:
6836133
Name [?]:
2-ethyl-3-(4-ethylphenoxy)-7-hydroxy-chromen-4-one
SMILES [?]:
CCc1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)O)CC
InChi [?]:
InChI=1/C19H18O4/c1-3-12-5-8-14(9-6-12)22-19-16(4-2)23-17-11-13(20)7-10-15(17)18(19)21/h5-11,20H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,22,4,8,16,5,7,17,14,3,15,6,18,11,13,19,10,21,20,9,12/E:(5,6)(8,9)/rA:23nCCCCCCCCOCCOCCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s11;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O4
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.00322
Area:494.342
Solvation:-3.35534
Coulombic:-41.9495
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.344
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.47
LogP (Chemaxon):4.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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