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Chemical ID: 4943290
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
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Experimental Annotations
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Descriptor Annotations
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