Chemical ID: 5235836

C=CCCCC1(c2ccccc2OC1=O)c3ccccc3
Chemical ID:
5235836
Name [?]:
3-pent-4-enyl-3-phenyl-benzofuran-2-one
SMILES [?]:
C=CCCCC1(c2ccccc2OC1=O)c3ccccc3
InChi [?]:
InChI=1/C19H18O2/c1-2-3-9-14-19(15-10-5-4-6-11-15)16-12-7-8-13-17(16)21-18(19)20/h2,4-8,10-13H,1,3,9,14H2
InChi Info:
AuxInfo=1/0/N:1,2,3,19,18,20,9,10,4,17,21,8,11,5,16,7,12,14,6,15,13/E:(5,6)(10,11)/rA:21cCCCCCCCCCCCCOCOCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;d14;s6;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.93271
Area:481.874
Solvation:-2.11413
Coulombic:-23.9883
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:278.345
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.6
LogP (Chemaxon):5.24

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Descriptor Annotations

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