Chemical ID: 4557140

CCCCCCc1cc2c(cc1OCc3ccccc3)occ(c2=O)c4ccccc4
Chemical ID:
4557140
Name [?]:
7-benzyloxy-6-hexyl-3-phenyl-chromen-4-one
SMILES [?]:
CCCCCCc1cc2c(cc1OCc3ccccc3)occ(c2=O)c4ccccc4
InChi [?]:
InChI=1/C28H28O3/c1-2-3-4-9-16-23-17-24-27(18-26(23)30-19-21-12-7-5-8-13-21)31-20-25(28(24)29)22-14-10-6-11-15-22/h5-8,10-15,17-18,20H,2-4,9,16,19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,18,29,17,19,5,28,30,16,20,27,31,6,8,11,14,22,15,26,7,9,23,12,10,24,25,13,21/E:(7,8)(10,11)(12,13)(14,15)/rA:31nCCCCCCCCCCCCOCCCCCCCOCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s10;s21;d22;s9s23;d24;s23;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H28O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.7398
Area:691.53
Solvation:-3.5485
Coulombic:-28.333
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.52
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:8.13
LogP (Chemaxon):7.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue