Chemical ID: 4565010

Cc1c(c(=O)c2ccc(cc2o1)O)c3ccccc3OC
Chemical ID:
4565010
Name [?]:
7-hydroxy-3-(2-methoxyphenyl)-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)O)c3ccccc3OC
InChi [?]:
InChI=1/C17H14O4/c1-10-16(12-5-3-4-6-14(12)20-2)17(19)13-8-7-11(18)9-15(13)21-10/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,16,17,15,18,8,7,10,2,9,14,6,19,11,3,4,13,5,20,12/rA:21nCCCCOCCCCCCOOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s3;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.31357
Area:459.354
Solvation:-4.17027
Coulombic:-39.7708
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.291
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.28
LogP (Chemaxon):3.33

Name Annotations

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Descriptor Annotations

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