Chemical ID: 7089067

Cc1cc(cc(c1)C(CC=C)O)C
Chemical ID:
7089067
Name [?]:
1-(3,5-dimethylphenyl)but-3-en-1-ol
SMILES [?]:
Cc1cc(cc(c1)C(CC=C)O)C
InChi [?]:
InChI=1/C12H16O/c1-4-5-12(13)11-7-9(2)6-10(3)8-11/h4,6-8,12-13H,1,5H2,2-3H3
InChi Info:
AuxInfo=1/0/N:11,1,13,10,9,3,7,5,2,4,6,8,12/E:(2,3)(7,8)(9,10)/rA:13cCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s8;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O
All Atoms:29
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.438
Area:370.554
Solvation:-1.82586
Coulombic:-20.0077
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:176.255
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.17
LogP (Chemaxon):3.51

Name Annotations

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Descriptor Annotations

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