Chemical ID: 4177087

COc1ccc(cc1)C(=O)C=Cc2ccc(cc2)C(=O)OC
Chemical ID:
4177087
Name [?]:
methyl 4-[3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]benzoate
SMILES [?]:
COc1ccc(cc1)C(=O)C=Cc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C18H16O4/c1-21-16-10-8-14(9-11-16)17(19)12-5-13-3-6-15(7-4-13)18(20)22-2/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,14,18,12,15,17,5,7,4,8,11,13,6,16,3,9,19,10,20,2,21/E:(3,4)(6,7)(8,9)(10,11)/rA:22nCOCCCCCCCOCCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.42446
Area:505.714
Solvation:-4.21839
Coulombic:-36.9295
Bond Count [?]
All:23
Single:14
Double:9
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:296.317
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.7
LogP (Chemaxon):3.31

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Descriptor Annotations

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