Chemical ID: 6488875

CCCCC(=O)c1cc(ccc1O)OCCCC
Chemical ID:
6488875
Name [?]:
1-(5-butoxy-2-hydroxy-phenyl)pentan-1-one
SMILES [?]:
CCCCC(=O)c1cc(ccc1O)OCCCC
InChi [?]:
InChI=1/C15H22O3/c1-3-5-7-14(16)13-11-12(8-9-15(13)17)18-10-6-4-2/h8-9,11,17H,3-7,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,3,16,4,10,11,15,8,9,7,5,12,6,13,14/rA:18nCCCCCOCCCCCCOOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s9;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.01364
Area:481.123
Solvation:-4.01444
Coulombic:-31.3222
Bond Count [?]
All:18
Single:14
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:250.333
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.54
LogP (Chemaxon):4.1

Name Annotations

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Descriptor Annotations

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