Chemical ID: 4903712

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCOC)O
Chemical ID:
4903712
Name [?]:
3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCOC)O
InChi [?]:
InChI=1/C23H25NO6/c1-3-13-30-18-10-6-16(7-11-18)21(26)19-20(15-4-8-17(25)9-5-15)24(12-14-29-2)23(28)22(19)27/h4-11,20,25,27H,3,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,20,24,7,9,21,23,6,10,26,3,27,19,8,22,5,13,18,11,14,15,17,25,12,30,16,28,4/E:(4,5)(6,7)(8,9)(10,11)/rA:30cCCCOCCCCCCCOCCCONCCCCCCCOCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;s27;s28;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.48888
Area:647.635
Solvation:-6.70199
Coulombic:-74.7434
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:411.448
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.3
LogP (Chemaxon):2.33

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue