Chemical ID: 3993344

COc1cc(ccc1OCc2ccccc2Cl)C(=O)O
Chemical ID:
3993344
Name [?]:
4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoic acid
SMILES [?]:
COc1cc(ccc1OCc2ccccc2Cl)C(=O)O
InChi [?]:
InChI=1/C15H13ClO4/c1-19-14-8-10(15(17)18)6-7-13(14)20-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,6,7,4,10,5,11,16,8,3,18,17,19,20,2,9/E:(17,18)/rA:20nCOCCCCCCOCCCCCCCClCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s5;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.63234
Area:484.594
Solvation:-4.48251
Coulombic:-43.9156
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.714
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.53
LogP (Chemaxon):3.35

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