Chemical ID: 4573655

CC(C)c1ccc2c(c1)c(cc(=O)o2)c3cc4cccc(c4o3)OC
Chemical ID:
4573655
Name [?]:
6-isopropyl-4-(7-methoxybenzofuran-2-yl)-chromen-2-one
SMILES [?]:
CC(C)c1ccc2c(c1)c(cc(=O)o2)c3cc4cccc(c4o3)OC
InChi [?]:
InChI=1/C21H18O4/c1-12(2)13-7-8-17-15(9-13)16(11-20(22)24-17)19-10-14-5-4-6-18(23-3)21(14)25-19/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,25,19,18,20,5,6,9,16,11,2,4,17,8,10,7,21,15,12,22,13,24,14,23/E:(1,2)/rA:25nCCCCCCCCCCCCOOCCCCCCCCOOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s11;d12;s7s12;s10;d15;s16;s17;d18;s19;d20;d17s21;s15s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.90595
Area:539.839
Solvation:-4.59001
Coulombic:-34.9922
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.365
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.01
LogP (Chemaxon):5.08

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Descriptor Annotations

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