Chemical ID: 6045927

c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O
Chemical ID:
6045927
Name [?]:
phenethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES [?]:
c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O
InChi [?]:
InChI=1/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,15,13,16,12,7,8,19,4,14,17,18,10,21,20,11,9/E:(2,3)(4,5)/rA:21nCCCCCCCCOCOCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.51356
Area:496.043
Solvation:-3.88751
Coulombic:-53.8684
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:284.307
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.72
LogP (Chemaxon):3.64

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Descriptor Annotations

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