Chemical ID: 5053972

CC(c1ccccc1)OC(=O)C=Cc2ccccc2
Chemical ID:
5053972
Name [?]:
1-phenylethyl 3-phenylprop-2-enoate
SMILES [?]:
CC(c1ccccc1)OC(=O)C=Cc2ccccc2
InChi [?]:
InChI=1/C17H16O2/c1-14(16-10-6-3-7-11-16)19-17(18)13-12-15-8-4-2-5-9-15/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,6,16,18,5,7,15,19,4,8,13,12,2,14,3,10,11,9/E:(4,5)(6,7)(8,9)(10,11)/rA:19cCCCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.30192
Area:449.883
Solvation:-1.94516
Coulombic:-23.5134
Bond Count [?]
All:20
Single:12
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:252.308
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.47
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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