Chemical ID: 5206251

c1ccc(cc1)OCc2ccc(cc2)O
Chemical ID:
5206251
Name [?]:
4-(phenoxymethyl)phenol
SMILES [?]:
c1ccc(cc1)OCc2ccc(cc2)O
InChi [?]:
InChI=1/C13H12O2/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9,14H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,14,11,13,8,9,12,4,15,7/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.67053
Area:386.621
Solvation:-2.99499
Coulombic:-25.8791
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.233
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.24
LogP (Chemaxon):3.29

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