Chemical ID: 5784758

c1ccc(cc1)COc2ccc(cc2)C=C3C=C(OC3=O)c4ccccc4
Chemical ID:
5784758
Name [?]:
3-[(4-benzyloxyphenyl)methylene]-5-phenyl-furan-2-one
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C=C3C=C(OC3=O)c4ccccc4
InChi [?]:
InChI=1/C24H18O3/c25-24-21(16-23(27-24)20-9-5-2-6-10-20)15-18-11-13-22(14-12-18)26-17-19-7-3-1-4-8-19/h1-16H,17H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,3,5,23,27,11,13,10,14,15,17,7,12,4,22,16,9,18,20,21,8,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCOCCCCCCCCCCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;d17;s18;s16s19;d20;s18;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0546
Area:597.476
Solvation:-3.88229
Coulombic:-30.7976
Bond Count [?]
All:30
Single:18
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:354.398
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.85
LogP (Chemaxon):4.63

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Descriptor Annotations

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