Chemical ID: 5173186

Cc1ccc(c(c1CC=C)OC)C
Chemical ID:
5173186
Name [?]:
2-allyl-3-methoxy-1,4-dimethyl-benzene
SMILES [?]:
Cc1ccc(c(c1CC=C)OC)C
InChi [?]:
InChI=1/C12H16O/c1-5-6-11-9(2)7-8-10(3)12(11)13-4/h5,7-8H,1,6H2,2-4H3
InChi Info:
AuxInfo=1/0/N:10,1,13,12,9,8,3,4,2,5,7,6,11/rA:13nCCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6;s11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.0807
Area:353.798
Solvation:-1.76425
Coulombic:-10.2934
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:176.255
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.68
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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