Chemical ID: 6622278

CCC(c1ccc(cc1)CC(C)C)C(=O)O
Chemical ID:
6622278
Name [?]:
2-(4-isobutylphenyl)butanoic acid
SMILES [?]:
CCC(c1ccc(cc1)CC(C)C)C(=O)O
InChi [?]:
InChI=1/C14H20O2/c1-4-13(14(15)16)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,13,2,6,8,5,9,10,11,7,4,3,14,15,16/E:(2,3)(5,6)(7,8)(15,16)/rA:16cCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.68864
Area:417.041
Solvation:-1.73737
Coulombic:-29.1148
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.307
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.21
LogP (Chemaxon):4.23

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Descriptor Annotations

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