Chemical ID: 4669792

CCCCC(=O)Cc1ccccc1
Chemical ID:
4669792
Name [?]:
1-phenylhexan-2-one
SMILES [?]:
CCCCC(=O)Cc1ccccc1
InChi [?]:
InChI=1/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,10,12,9,13,4,7,8,5,6/E:(5,6)(7,8)/rA:13nCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.19506
Area:376.566
Solvation:-2.2191
Coulombic:-8.64008
Bond Count [?]
All:13
Single:9
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:176.255
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.11
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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