Chemical ID: 4282471

COc1ccc(c(c1)OC)C(=O)C=Cc2ccccc2OC
Chemical ID:
4282471
Name [?]:
1-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)C=Cc2ccccc2OC
InChi [?]:
InChI=1/C18H18O4/c1-20-14-9-10-15(18(12-14)22-3)16(19)11-8-13-6-4-5-7-17(13)21-2/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,10,17,18,16,19,14,4,5,13,8,15,3,6,11,20,7,12,2,21,9/rA:22nCOCCCCCCOCCOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.68402
Area:491.988
Solvation:-6.61569
Coulombic:-29.4946
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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