Chemical ID: 4565247

CCCc1cc2c(cc1O)occ(c2=O)c3cc4ccccc4o3
Chemical ID:
4565247
Name [?]:
3-benzofuran-2-yl-7-hydroxy-6-propyl-chromen-4-one
SMILES [?]:
CCCc1cc2c(cc1O)occ(c2=O)c3cc4ccccc4o3
InChi [?]:
InChI=1/C20H16O4/c1-2-5-12-8-14-18(10-16(12)21)23-11-15(20(14)22)19-9-13-6-3-4-7-17(13)24-19/h3-4,6-11,21H,2,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,21,3,19,22,5,17,8,12,4,18,6,13,9,23,7,16,14,10,15,11,24/rA:24nCCCCCCCCCOOCCCOCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s11;d12;s6s13;d14;s13;d16;s17;s18;d19;s20;d21;d18s22;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.82565
Area:518.57
Solvation:-4.1386
Coulombic:-39.9062
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:320.339
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.45
LogP (Chemaxon):5.17

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Descriptor Annotations

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