4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one

C24H23FO4 — CID 59760076

IUPAC4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one
SMILESCOc1ccc(Oc2cccc(COc3ccc(CCC(C)=O)cc3F)c2)cc1
InChIInChI=1S/C24H23FO4/c1-17(26)6-7-18-8-13-24(23(25)15-18)28-16-19-4-3-5-22(14-19)29-21-11-9-20(27-2)10-12-21/h3-5,8-15H,6-7,16H2,1-2H3
InChIKeyQLBOYPVHOLRNQF-UHFFFAOYSA-N
MW394.44 g/mol
LogP5.73
Rot. Bonds9

About 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one

4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one (PubChem CID 59760076) has the molecular formula C24H23FO4 and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one
PubChem CID59760076
Molecular FormulaC24H23FO4
Molecular Weight394.44 g/mol
Exact Mass394.16
IUPAC Name4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one
SMILESCOc1ccc(Oc2cccc(COc3ccc(CCC(C)=O)cc3F)c2)cc1
InChIInChI=1S/C24H23FO4/c1-17(26)6-7-18-8-13-24(23(25)15-18)28-16-19-4-3-5-22(14-19)29-21-11-9-20(27-2)10-12-21/h3-5,8-15H,6-7,16H2,1-2H3
InChIKeyQLBOYPVHOLRNQF-UHFFFAOYSA-N
XLogP5.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-fluoro-4-[(3-prop-2-ynoxyphenyl)methoxy]phenyl]butan-2-one
CID 59760129
ethyl 3-[3-fluoro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenyl]propanoate
CID 23136301
3-[3-fluoro-4-[[3-(3-propan-2-ylphenoxy)phenyl]methoxy]phenyl]propanoic acid
CID 23136440
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
CID 28604689
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one
CID 82184682
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
CID 107881269
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
ethyl 3-[4-[[3-(4-chlorophenoxy)phenyl]methoxy]-3,5-difluorophenyl]propanoate
CID 23136377

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one?
The IUPAC name of 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one (CID 59760076) is 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one is COc1ccc(Oc2cccc(COc3ccc(CCC(C)=O)cc3F)c2)cc1.
What is the InChIKey of 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one?
The InChIKey is QLBOYPVHOLRNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO4/c1-17(26)6-7-18-8-13-24(23(25)15-18)28-16-19-4-3-5-22(14-19)29-21-11-9-20(27-2)10-12-21/h3-5,8-15H,6-7,16H2,1-2H3.
What are the key properties of 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one?
4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one has a molecular weight of 394.44 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one is sourced from PubChem (CID 59760076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).