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Chemical ID: 4733853
Chemical ID:
4733853
Name [?]:
3-(3-methoxyphenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
COc1cccc(c1)C=CC(=O)c2ccccc2
InChi [?]:
InChI=1/C16H14O2/c1-18-15-9-5-6-13(12-15)10-11-16(17)14-7-3-2-4-8-14/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,5,6,14,18,4,9,10,8,7,13,3,11,12,2/E:(3,4)(7,8)/rA:18nCOCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.19396 |
Area: | 428.252 |
Solvation: | -3.51235 |
Coulombic: | -18.0196 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 238.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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