Chemical ID: 7089066

Cc1ccc(cc1C)C(CC=C)O
Chemical ID:
7089066
Name [?]:
1-(3,4-dimethylphenyl)but-3-en-1-ol
SMILES [?]:
Cc1ccc(cc1C)C(CC=C)O
InChi [?]:
InChI=1/C12H16O/c1-4-5-12(13)11-7-6-9(2)10(3)8-11/h4,6-8,12-13H,1,5H2,2-3H3
InChi Info:
AuxInfo=1/0/N:12,1,8,11,10,3,4,6,2,7,5,9,13/rA:13cCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O
All Atoms:29
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.39151
Area:368.506
Solvation:-1.82115
Coulombic:-19.992
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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Experimental Annotations

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Descriptor Annotations

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