ChemDB: Chemical Search
Download
Chemical ID: 4773315
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|