Chemical ID: 6488985

CCCCC(=O)c1cc(ccc1O)C
Chemical ID:
6488985
Name [?]:
1-(2-hydroxy-5-methyl-phenyl)pentan-1-one
SMILES [?]:
CCCCC(=O)c1cc(ccc1O)C
InChi [?]:
InChI=1/C12H16O2/c1-3-4-5-11(13)10-8-9(2)6-7-12(10)14/h6-8,14H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,3,4,10,11,8,9,7,5,12,6,13/rA:14nCCCCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.74477
Area:386.341
Solvation:-2.91375
Coulombic:-24.17
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.71
LogP (Chemaxon):3.61

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Descriptor Annotations

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