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Chemical ID: 6488875
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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Experimental Annotations
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Descriptor Annotations
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