Chemical ID: 6691467

COc1cc(c2c(c1)OC(CC2=O)c3ccccc3)O
Chemical ID:
6691467
Name [?]:
5-hydroxy-7-methoxy-2-phenyl-chroman-4-one
SMILES [?]:
COc1cc(c2c(c1)OC(CC2=O)c3ccccc3)O
InChi [?]:
InChI=1/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,4,8,11,14,3,5,12,10,7,6,20,13,2,9/E:(3,4)(5,6)/rA:20cCOCCCCCCOCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6s11;d12;s10;s14;d15;s16;d17;d14s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:6.32676
Area:445.019
Solvation:-4.79871
Coulombic:-38.5863
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.28
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):2.95

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Descriptor Annotations

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