Chemical ID: 5250707

CC(CCc1ccc(cc1)OC)O
Chemical ID:
5250707
Name [?]:
4-(4-methoxyphenyl)butan-2-ol
SMILES [?]:
CC(CCc1ccc(cc1)OC)O
InChi [?]:
InChI=1/C11H16O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9,12H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,3,4,6,10,7,9,2,5,8,13,11/E:(5,6)(7,8)/rA:13cCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.22207
Area:371.963
Solvation:-3.07701
Coulombic:-25.0523
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:180.244
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.1
LogP (Chemaxon):2.32

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