Chemical ID: 6336748

COC(=O)Cc1ccc(cc1)c2ccccc2
Chemical ID:
6336748
Name [?]:
methyl 2-(4-phenylphenyl)acetate
SMILES [?]:
COC(=O)Cc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C15H14O2/c1-17-15(16)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,7,11,8,10,5,6,12,9,3,4,2/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCOCOCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.18638
Area:425.393
Solvation:-2.44845
Coulombic:-20.683
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:226.27
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.71
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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