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Chemical ID: 6667756
Chemical ID:
6667756
Name [?]:
(2-methoxyphenyl) 2-phenylacetate
SMILES [?]:
COc1ccccc1OC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,5,6,14,18,4,7,12,13,3,8,10,11,2,9/E:(3,4)(7,8)/rA:18nCOCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47552 |
Area: | 434.003 |
Solvation: | -3.37456 |
Coulombic: | -27.9005 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.98 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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