Chemical ID: 6492951

CCCCCOc1ccc(c(c1)O)C(=O)c2ccccc2
Chemical ID:
6492951
Name [?]:
(2-hydroxy-4-pentoxy-phenyl)-phenyl-methanone
SMILES [?]:
CCCCCOc1ccc(c(c1)O)C(=O)c2ccccc2
InChi [?]:
InChI=1/C18H20O3/c1-2-3-7-12-21-15-10-11-16(17(19)13-15)18(20)14-8-5-4-6-9-14/h4-6,8-11,13,19H,2-3,7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,19,18,20,4,17,21,8,9,5,12,16,7,10,11,14,13,15,6/E:(5,6)(8,9)/rA:21nCCCCCOCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.4103
Area:513.655
Solvation:-3.43109
Coulombic:-34.9773
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:284.35
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.43
LogP (Chemaxon):4.98

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Descriptor Annotations

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