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Chemical ID: 3967956
Chemical ID:
3967956
Name [?]:
(2-hydroxy-4-methoxy-phenyl)-phenyl-methanone
SMILES [?]:
COc1ccc(c(c1)O)C(=O)c2ccccc2
InChi [?]:
InChI=1/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,4,5,8,12,3,6,7,10,9,11,2/E:(3,4)(5,6)/rA:17nCOCCCCCCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61604 |
Area: | 407.377 |
Solvation: | -3.56838 |
Coulombic: | -33.6107 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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