Chemical ID: 4898911

CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc3ccc(c(c3OC)OC)OC)C2=O
Chemical ID:
4898911
Name [?]:
[3-oxo-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-6-yl] 2,2-dimethylpropanoate
SMILES [?]:
CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc3ccc(c(c3OC)OC)OC)C2=O
InChi [?]:
InChI=1/C23H24O7/c1-23(2,3)22(25)29-14-8-9-15-17(12-14)30-18(19(15)24)11-13-7-10-16(26-4)21(28-6)20(13)27-5/h7-12H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,28,24,26,18,9,10,19,16,13,17,8,11,20,12,15,29,22,21,5,2,30,6,27,23,25,7,14/E:(1,2,3)/rA:30nCCCCCOOCCCCCCOCCCCCCCCOCOCOCCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s21;s25;s20;s27;s11s15;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24O7
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.0105
Area:643.219
Solvation:-6.07002
Coulombic:-59.1341
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:412.432
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.51
LogP (Chemaxon):3.93

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Descriptor Annotations

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