Chemical ID: 5143675

CCCc1ccc(cc1)OCC2CO2
Chemical ID:
5143675
Name [?]:
2-[(4-propylphenoxy)methyl]oxirane
SMILES [?]:
CCCc1ccc(cc1)OCC2CO2
InChi [?]:
InChI=1/C12H16O2/c1-2-3-10-4-6-11(7-5-10)13-8-12-9-14-12/h4-7,12H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,5,9,6,8,11,13,4,7,12,10,14/E:(4,5)(6,7)/rA:14cCCCCCCCCCOCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.17005
Area:395.237
Solvation:-3.71087
Coulombic:-17.0674
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.04
LogP (Chemaxon):2.78

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Descriptor Annotations

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