Chemical ID: 3967956

COc1ccc(c(c1)O)C(=O)c2ccccc2
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

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Descriptor Annotations

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