Chemical ID: 5133557

COc1ccc(cc1)C=C2CCCC2=O
Chemical ID:
5133557
Name [?]:
2-[(4-methoxyphenyl)methylene]cyclopentan-1-one
SMILES [?]:
COc1ccc(cc1)C=C2CCCC2=O
InChi [?]:
InChI=1/C13H14O2/c1-15-12-7-5-10(6-8-12)9-11-3-2-4-13(11)14/h5-9H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,5,7,4,8,9,6,10,3,14,15,2/E:(5,6)(7,8)/rA:15nCOCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;s12;s10s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.32629
Area:382.21
Solvation:-3.22895
Coulombic:-15.6555
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:202.249
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.0
LogP (Chemaxon):2.85

Name Annotations

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Descriptor Annotations

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