Chemical ID: 4194625

Cc1c(c2cc(ccc2o1)O)C(=O)c3ccc(cc3OC)OC
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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