Chemical ID: 4565144

COCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3ccc(c(c3)OC)OC
Chemical ID:
4565144
Name [?]:
5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
COCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C23H25NO7/c1-28-12-11-24-20(15-7-10-17(30-3)18(13-15)31-4)19(22(26)23(24)27)21(25)14-5-8-16(29-2)9-6-14/h5-10,13,20,26H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,31,29,15,19,23,16,18,24,4,3,27,14,22,17,25,26,7,6,12,8,9,5,13,11,10,2,20,30,28/E:(5,6)(8,9)/rA:31cCOCCNCCCCOOCOCCCCCCOCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s5s8;d9;s8;s7;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s6;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:6.09841
Area:619.324
Solvation:-9.38469
Coulombic:-70.5935
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:427.447
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.49
LogP (Chemaxon):1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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