Chemical ID: 4773315

CC1(CC(=O)c2ccc(cc2O1)OCc3ccc(cc3)F)C
Chemical ID:
4773315
Name [?]:
7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-chroman-4-one
SMILES [?]:
CC1(CC(=O)c2ccc(cc2O1)OCc3ccc(cc3)F)C
InChi [?]:
InChI=1/C18H17FO3/c1-18(2)10-16(20)15-8-7-14(9-17(15)22-18)21-11-12-3-5-13(19)6-4-12/h3-9H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,16,20,17,19,8,7,10,3,14,15,18,9,6,4,11,2,21,5,13,12/E:(1,2)(3,4)(5,6)/rA:22nCCCCOCCCCCCOOCCCCCCCFC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s18;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17FO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.60548
Area:484.273
Solvation:-4.50135
Coulombic:-27.6669
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:300.324
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.06
LogP (Chemaxon):3.15

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Descriptor Annotations

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