Chemical ID: 4917881

COc1ccc(cc1)C(=O)C2CCC(C2)C(=O)O
Chemical ID:
4917881
Name [?]:
3-(4-methoxybenzoyl)cyclopentane-1-carboxylic acid
SMILES [?]:
COc1ccc(cc1)C(=O)C2CCC(C2)C(=O)O
InChi [?]:
InChI=1/C14H16O4/c1-18-12-6-4-9(5-7-12)13(15)10-2-3-11(8-10)14(16)17/h4-7,10-11H,2-3,8H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,13,5,7,4,8,15,6,11,14,3,9,16,10,17,18,2/E:(4,5)(6,7)(16,17)/rA:18cCOCCCCCCCOCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s11s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:6.87045
Area:437.235
Solvation:-4.06044
Coulombic:-41.5197
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:248.274
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.75
LogP (Chemaxon):1.91

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Descriptor Annotations

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