Chemical ID: 7116953

Cc1cccc(c1)Oc2ccc(cc2)C(=O)O
Chemical ID:
7116953
Name [?]:
4-(3-methylphenoxy)benzoic acid
SMILES [?]:
Cc1cccc(c1)Oc2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C14H12O3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,11,13,10,14,7,2,12,9,6,15,16,17,8/E:(5,6)(7,8)(15,16)/rA:17nCCCCCCCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O3
All Atoms:29
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.89705
Area:410.21
Solvation:-2.3582
Coulombic:-36.8513
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:228.243
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.55
LogP (Chemaxon):3.46

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Descriptor Annotations

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