Chemical ID: 4473350

CC(=O)C(C1c2ccccc2Oc3c1cc(cc3)OC)C(=O)c4ccc(cc4)F
Chemical ID:
4473350
Name [?]:
1-(4-fluorophenyl)-2-(2-methoxy-9H-xanthen-9-yl)-butane-1,3-dione
SMILES [?]:
CC(=O)C(C1c2ccccc2Oc3c1cc(cc3)OC)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C24H19FO4/c1-14(26)22(24(27)15-7-9-16(25)10-8-15)23-18-5-3-4-6-20(18)29-21-12-11-17(28-2)13-19(21)23/h3-13,22-23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,8,9,7,10,24,28,25,27,17,18,15,2,23,26,16,6,14,11,13,4,5,21,29,3,22,19,12/E:(7,8)(9,10)/rA:29cCCOCCCCCCCCOCCCCCCOCCOCCCCCCF/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s5s13;d14;s15;d16;d13s17;s16;s19;s4;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:7.30952
Area:551.467
Solvation:-6.47715
Coulombic:-32.8732
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:390.404
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):4.75

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Descriptor Annotations

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