Chemical ID: 6843958

CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3cc(cc(c3C)C)C
Chemical ID:
6843958
Name [?]:
ethyl 2-[4-oxo-3-(2,3,5-trimethylphenoxy)-chromen-7-yl]oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3cc(cc(c3C)C)C
InChi [?]:
InChI=1/C23H24O6/c1-6-26-23(25)16(5)28-17-7-8-18-20(11-17)27-12-21(22(18)24)29-19-10-13(2)9-14(3)15(19)4/h7-12,16H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,29,28,27,7,2,10,11,24,22,14,16,23,25,26,6,9,12,21,13,17,18,4,19,5,3,15,8,20/rA:29cCCOCOCCOCCCCCCOCCCOOCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;s20;s21;d22;s23;d24;d21s25;s26;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24O6
All Atoms:53
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.7879
Area:630.198
Solvation:-4.96704
Coulombic:-51.8647
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.433
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.15
LogP (Chemaxon):5.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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