Chemical ID: 7154899

COc1cccc(c1OCc2ccccc2)C(=O)O
Chemical ID:
7154899
Name [?]:
2-benzyloxy-3-methoxy-benzoic acid
SMILES [?]:
COc1cccc(c1OCc2ccccc2)C(=O)O
InChi [?]:
InChI=1/C15H14O4/c1-18-13-9-5-8-12(15(16)17)14(13)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,5,12,16,6,4,10,11,7,3,8,17,18,19,2,9/E:(3,4)(6,7)(16,17)/rA:19nCOCCCCCCOCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s7;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O4
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.06005
Area:435.133
Solvation:-4.81828
Coulombic:-43.5994
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:258.269
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.91
LogP (Chemaxon):2.83

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Descriptor Annotations

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