Chemical ID: 5003152

COc1cc(cc(c1)OC)C=Cc2ccccc2
Chemical ID:
5003152
Name [?]:
1,3-dimethoxy-5-styryl-benzene
SMILES [?]:
COc1cc(cc(c1)OC)C=Cc2ccccc2
InChi [?]:
InChI=1/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,15,17,14,18,12,11,4,6,8,13,5,3,7,2,9/E:(1,2)(4,5)(6,7)(10,11)(15,16)(17,18)/rA:18nCOCCCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;w11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.81026
Area:415.349
Solvation:-3.57348
Coulombic:-17.0587
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:240.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.49
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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