Chemical ID: 4243179

COc1ccc(cc1OC)C(CC(=O)c2ccccc2)CC(=O)c3ccccc3
Chemical ID:
4243179
Name [?]:
3-(3,4-dimethoxyphenyl)-1,5-diphenyl-pentane-1,5-dione
SMILES [?]:
COc1ccc(cc1OC)C(CC(=O)c2ccccc2)CC(=O)c3ccccc3
InChi [?]:
InChI=1/C25H24O4/c1-28-24-14-13-20(17-25(24)29-2)21(15-22(26)18-9-5-3-6-10-18)16-23(27)19-11-7-4-8-12-19/h3-14,17,21H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,27,17,19,26,28,16,20,25,29,5,4,12,21,7,15,24,6,11,13,22,3,8,14,23,2,9/E:(3,4)(5,6,7,8)(9,10,11,12)(15,16)(18,19)(22,23)(26,27)/rA:29nCOCCCCCCOCCCCOCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s11;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.02048
Area:629.547
Solvation:-6.71818
Coulombic:-32.4479
Bond Count [?]
All:31
Single:20
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:388.456
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.47
LogP (Chemaxon):4.11

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Descriptor Annotations

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