Chemical ID: 4665931

Cc1ccc(cc1)C(CC=Cn2c(cc(n2)C)C)O
Chemical ID:
4665931
Name [?]:
4-(3,5-dimethylpyrazol-1-yl)-1-(p-tolyl)but-3-en-1-ol
SMILES [?]:
Cc1ccc(cc1)C(CC=Cn2c(cc(n2)C)C)O
InChi [?]:
InChI=1/C16H20N2O/c1-12-6-8-15(9-7-12)16(19)5-4-10-18-14(3)11-13(2)17-18/h4,6-11,16,19H,5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,10,9,3,7,4,6,11,14,2,15,13,5,8,16,12,19/E:(6,7)(8,9)/rA:19cCCCCCCCCCCCNCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;w10;s11;s12;d13;s14;s12d15;s15;s13;s8;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.85504
Area:472.382
Solvation:-2.95451
Coulombic:-21.6395
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:256.343
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.11
LogP (Chemaxon):3.01

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue