Chemical ID: 4174134

COc1ccc(c(c1)OC)C=CC(=O)c2ccc(cc2OC)OC
Chemical ID:
4174134
Name [?]:
1,3-bis(2,4-dimethoxyphenyl)prop-2-en-1-one
SMILES [?]:
COc1ccc(c(c1)OC)C=CC(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C19H20O5/c1-21-14-7-5-13(18(11-14)23-3)6-10-17(20)16-9-8-15(22-2)12-19(16)24-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,10,22,5,11,4,17,16,12,8,19,6,3,18,15,13,7,20,14,2,23,9,21/rA:24nCOCCCCCCOCCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.63996
Area:529.036
Solvation:-7.58593
Coulombic:-36.0225
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:328.359
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.51
LogP (Chemaxon):3.0

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Descriptor Annotations

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