Chemical ID: 5574394

COc1ccc(cc1OCc2ccccc2)CC(=O)O
Chemical ID:
5574394
Name [?]:
2-(3-benzyloxy-4-methoxy-phenyl)acetic acid
SMILES [?]:
COc1ccc(cc1OCc2ccccc2)CC(=O)O
InChi [?]:
InChI=1/C16H16O4/c1-19-14-8-7-13(10-16(17)18)9-15(14)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,5,4,7,17,10,11,6,3,8,18,19,20,2,9/E:(3,4)(5,6)(17,18)/rA:20nCOCCCCCCOCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s6;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.13369
Area:482.467
Solvation:-5.92798
Coulombic:-41.3916
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.296
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):2.95

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