Chemical ID: 5193251

Cc1ccc(cc1)OCC(=O)C
Chemical ID:
5193251
Name [?]:
1-(4-methylphenoxy)propan-2-one
SMILES [?]:
Cc1ccc(cc1)OCC(=O)C
InChi [?]:
InChI=1/C10H12O2/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,3,7,4,6,9,2,10,5,11,8/E:(3,4)(5,6)/rA:12nCCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.51003
Area:343.179
Solvation:-4.06946
Coulombic:-13.8765
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:164.201
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.02
LogP (Chemaxon):2.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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