Chemical ID: 4173939

COc1ccc(c(c1)OC)C(=O)C=Cc2ccc3c(c2)OCO3
Chemical ID:
4173939
Name [?]:
3-benzo[1,3]dioxol-5-yl-1-(2,4-dimethoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)C=Cc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C18H16O5/c1-20-13-5-6-14(17(10-13)21-2)15(19)7-3-12-4-8-16-18(9-12)23-11-22-16/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,14,16,4,5,13,17,20,8,22,15,3,6,11,18,7,19,12,2,9,23,21/rA:23nCOCCCCCCOCCOCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.62568
Area:496.157
Solvation:-6.77825
Coulombic:-37.9718
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:312.317
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.43
LogP (Chemaxon):3.19

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