Chemical ID: 3990042

CC(C)(C)c1ccc(cc1)OCc2ccc(cc2)C(=O)O
Chemical ID:
3990042
Name [?]:
4-[(4-tert-butylphenoxy)methyl]benzoic acid
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCc2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C18H20O3/c1-18(2,3)15-8-10-16(11-9-15)21-12-13-4-6-14(7-5-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,18,15,17,6,10,7,9,12,13,16,5,8,19,2,20,21,11/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(19,20)/rA:21nCCCCCCCCCCOCCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.61987
Area:503.537
Solvation:-2.96855
Coulombic:-38.1382
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.35
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.08
LogP (Chemaxon):4.71

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