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Chemical ID: 4194625
Chemical ID:
4194625
Name [?]:
(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-benzofuran-3-yl)-methanone
SMILES [?]:
Cc1c(c2cc(ccc2o1)O)C(=O)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C18H16O5/c1-10-17(14-8-11(19)4-7-15(14)23-10)18(20)13-6-5-12(21-2)9-16(13)22-3/h4-9,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,7,16,15,8,5,18,2,6,17,14,4,9,19,3,12,11,13,22,20,10/rA:23nCCCCCCCCCOOCOCCCCCCOCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;s3;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.0613 |
Area: | 504.223 |
Solvation: | -6.54427 |
Coulombic: | -43.9396 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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