Chemical ID: 6663132

CCCC(=O)Cc1ccccc1
Chemical ID:
6663132
Name [?]:
1-phenylpentan-2-one
SMILES [?]:
CCCC(=O)Cc1ccccc1
InChi [?]:
InChI=1/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,3,8,12,6,7,4,5/E:(4,5)(7,8)/rA:12nCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.51175
Area:348.78
Solvation:-2.20775
Coulombic:-8.3409
Bond Count [?]
All:12
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:162.228
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.54
LogP (Chemaxon):3.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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