Chemical ID: 4576199

COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)O
Chemical ID:
4576199
Name [?]:
6-hydroxy-2-[(3-methoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)O
InChi [?]:
InChI=1/C16H12O4/c1-19-12-4-2-3-10(7-12)8-15-16(18)13-6-5-11(17)9-14(13)20-15/h2-9,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,15,14,8,9,17,7,16,3,13,18,10,11,20,12,2,19/rA:20nCOCCCCCCCCCOCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.01172
Area:445.491
Solvation:-4.12554
Coulombic:-40.984
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:268.264
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.14
LogP (Chemaxon):2.79

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