Chemical ID: 5180050

CC(C)C(=O)Oc1ccc(cc1)c2ccccc2
Chemical ID:
5180050
Name [?]:
(4-phenylphenyl) 2-methylpropanoate
SMILES [?]:
CC(C)C(=O)Oc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C16H16O2/c1-12(2)16(17)18-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,14,18,9,11,8,12,2,13,10,7,4,5,6/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCOOCCCCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.27523
Area:445.423
Solvation:-1.86033
Coulombic:-21.2341
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:240.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.29
LogP (Chemaxon):4.42

Name Annotations

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Descriptor Annotations

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