Chemical ID: 6919471

CC(=CCc1cc(ccc1O)C(=O)C)C
Chemical ID:
6919471
Name [?]:
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
SMILES [?]:
CC(=CCc1cc(ccc1O)C(=O)C)C
InChi [?]:
InChI=1/C13H16O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4,6-8,15H,5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,14,3,4,8,9,6,2,12,7,5,10,13,11/E:(1,2)/rA:15nCCCCCCCCCCOCOCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s10;s7;d12;s12;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O2
All Atoms:31
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.14208
Area:395.331
Solvation:-2.7412
Coulombic:-24.5794
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.265
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.12
LogP (Chemaxon):2.62

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Descriptor Annotations

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