ChemDB: Chemical Search
Download
Chemical ID: 5608007
Chemical ID:
5608007
Name [?]:
methyl 2-hydroxy-5-[(4-hydroxy-3,5-ditert-butyl-phenyl)methyl]benzoate
SMILES [?]:
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)Cc2ccc(c(c2)C(=O)OC)O
InChi [?]:
InChI=1/C23H30O4/c1-22(2,3)17-12-15(13-18(20(17)25)23(4,5)6)10-14-8-9-19(24)16(11-14)21(26)27-7/h8-9,11-13,24-25H,10H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,14,15,26,18,19,16,22,6,8,17,7,21,5,9,20,10,23,2,12,27,11,24,25/E:(1,2,3,4,5,6)(12,13)(17,18)(22,23)/rA:27nCCCCCCCCCCOCCCCCCCCCCCCOOCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s9;s12;s12;s12;s7;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1424 |
Area: | 589.789 |
Solvation: | -3.60235 |
Coulombic: | -54.3038 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.482 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.88 |
LogP (Chemaxon): | 7.01 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|