Chemical ID: 4943290

COc1ccc(cc1C(c2ccccc2)O)O
Chemical ID:
4943290
Name [?]:
3-(hydroxy-phenyl-methyl)-4-methoxy-phenol
SMILES [?]:
COc1ccc(cc1C(c2ccccc2)O)O
InChi [?]:
InChI=1/C14H14O3/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h2-9,14-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,5,4,7,10,6,8,3,9,17,16,2/E:(3,4)(5,6)/rA:17cCOCCCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;d10s14;s9;s6;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.28204
Area:404.397
Solvation:-3.82788
Coulombic:-42.2715
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:230.259
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.29
LogP (Chemaxon):2.82

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