Chemical ID: 4576100

COc1ccc(c(c1)OC)C=C2C(=O)c3ccc(cc3O2)O
Chemical ID:
4576100
Name [?]:
2-[(2,4-dimethoxyphenyl)methylene]-6-hydroxy-benzofuran-3-one
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)c3ccc(cc3O2)O
InChi [?]:
InChI=1/C17H14O5/c1-20-12-5-3-10(14(9-12)21-2)7-16-17(19)13-6-4-11(18)8-15(13)22-16/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,17,4,16,11,19,8,6,18,3,15,7,20,12,13,22,14,2,9,21/rA:22nCOCCCCCCOCCCCOCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.02676
Area:478.97
Solvation:-4.9475
Coulombic:-47.7645
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:298.29
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):2.54

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Descriptor Annotations

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