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Chemical ID: 4669792
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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