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Chemical ID: 6986737
Chemical ID:
6986737
Name [?]:
(4-isopropylphenyl) 3-phenylprop-2-enoate
SMILES [?]:
CC(C)c1ccc(cc1)OC(=O)C=Cc2ccccc2
InChi [?]:
InChI=1/C18H18O2/c1-14(2)16-9-11-17(12-10-16)20-18(19)13-8-15-6-4-3-5-7-15/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,17,19,16,20,14,5,9,6,8,13,2,15,4,7,11,12,10/E:(1,2)(4,5)(6,7)(9,10)(11,12)/rA:20nCCCCCCCCCOCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O2 |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5554 |
Area: | 492.967 |
Solvation: | -1.76875 |
Coulombic: | -22.9503 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 266.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.2 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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