Chemical ID: 5608007

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)Cc2ccc(c(c2)C(=O)OC)O
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

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Experimental Annotations

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Descriptor Annotations

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