Chemical ID: 4698479

Cc1cc(cc(c1)Oc2ccccc2C=CC(=O)O)C
Chemical ID:
4698479
Name [?]:
3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
SMILES [?]:
Cc1cc(cc(c1)Oc2ccccc2C=CC(=O)O)C
InChi [?]:
InChI=1/C17H16O3/c1-12-9-13(2)11-15(10-12)20-16-6-4-3-5-14(16)7-8-17(18)19/h3-11H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,12,11,13,10,15,16,3,7,5,2,4,14,6,9,17,18,19,8/E:(1,2)(10,11)(12,13)(18,19)/rA:20nCCCCCCCOCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;d17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.92373
Area:461.065
Solvation:-2.60289
Coulombic:-36.7682
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:268.307
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.26
LogP (Chemaxon):4.52

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