Chemical ID: 4990589

c1ccc(cc1)CCCc2ccc(cc2)C(=O)O
Chemical ID:
4990589
Name [?]:
4-(3-phenylpropyl)benzoic acid
SMILES [?]:
c1ccc(cc1)CCCc2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C16H16O2/c17-16(18)15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,9,11,15,12,14,4,10,13,16,17,18/E:(2,3)(5,6)(9,10)(11,12)(17,18)/rA:18nCCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.71242
Area:458.454
Solvation:-1.74893
Coulombic:-31.1859
Bond Count [?]
All:19
Single:12
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:240.297
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.55
LogP (Chemaxon):4.44

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