Chemical ID: 6046717

CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c2ccc(cc2)O
Chemical ID:
6046717
Name [?]:
[4-(4-hydroxybenzoyl)phenyl] 2,2-dimethylpropanoate
SMILES [?]:
CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c2ccc(cc2)O
InChi [?]:
InChI=1/C18H18O4/c1-18(2,3)17(21)22-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,21,10,12,18,20,9,13,16,11,19,8,14,5,2,22,15,6,7/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCCOOCCCCCCCOCCCCCCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.35913
Area:506.911
Solvation:-3.31364
Coulombic:-45.025
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:298.333
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.7
LogP (Chemaxon):4.34

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Descriptor Annotations

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