Chemical ID: 4570070

COc1ccc(cc1)C(=O)C=Cc2cc(ccc2OC)OC
Chemical ID:
4570070
Name [?]:
3-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1)C(=O)C=Cc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C18H18O4/c1-20-15-7-4-13(5-8-15)17(19)10-6-14-12-16(21-2)9-11-18(14)22-3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,5,7,12,4,8,16,11,17,14,6,13,3,15,9,18,10,2,21,19/E:(4,5)(7,8)/rA:22nCOCCCCCCCOCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.50397
Area:498.97
Solvation:-5.97029
Coulombic:-30.5968
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:298.333
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.59
LogP (Chemaxon):3.25

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Descriptor Annotations

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