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Chemical ID: 4925917
Chemical ID:
4925917
Name [?]:
2-[4-(cyclohexylmethoxy)phenoxy]propanoic acid
SMILES [?]:
CC(C(=O)O)Oc1ccc(cc1)OCC2CCCCC2
InChi [?]:
InChI=1/C16H22O4/c1-12(16(17)18)20-15-9-7-14(8-10-15)19-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,9,11,8,12,14,2,15,10,7,3,4,5,13,6/E:(3,4)(5,6)(7,8)(9,10)(17,18)/rA:20cCCCOOOCCCCCCOCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.19851 |
Area: | 490.749 |
Solvation: | -4.07022 |
Coulombic: | -43.6566 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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