Chemical ID: 6689959

CC(C)(C)c1cc(c(cc1O)O)C(=O)c2ccccc2
Chemical ID:
6689959
Name [?]:
(2,4-dihydroxy-5-tert-butyl-phenyl)-phenyl-methanone
SMILES [?]:
CC(C)(C)c1cc(c(cc1O)O)C(=O)c2ccccc2
InChi [?]:
InChI=1/C17H18O3/c1-17(2,3)13-9-12(14(18)10-15(13)19)16(20)11-7-5-4-6-8-11/h4-10,18-19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,17,19,16,20,6,9,15,7,5,8,10,13,2,12,11,14/E:(1,2,3)(5,6)(7,8)/rA:20nCCCCCCCCCCOOCOCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s8;s7;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.51519
Area:458.478
Solvation:-2.94675
Coulombic:-43.2031
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.323
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):4.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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