Chemical ID: 4671342

c1ccc(cc1)OCc2cccc(c2)C(=O)O
Chemical ID:
4671342
Name [?]:
3-(phenoxymethyl)benzoic acid
SMILES [?]:
c1ccc(cc1)OCc2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C14H12O3/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,10,12,3,5,14,8,9,13,4,15,16,17,7/E:(2,3)(7,8)(15,16)/rA:17nCCCCCCOCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.56919
Area:422.791
Solvation:-3.00059
Coulombic:-37.478
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.243
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.26
LogP (Chemaxon):3.09

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Descriptor Annotations

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