Chemical ID: 6986737

CC(C)c1ccc(cc1)OC(=O)C=Cc2ccccc2
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

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