4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one

C17H16F2O2 — CID 103990814

IUPAC4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCc2c(F)cccc2F)cc1
InChIInChI=1S/C17H16F2O2/c1-12(20)5-6-13-7-9-14(10-8-13)21-11-15-16(18)3-2-4-17(15)19/h2-4,7-10H,5-6,11H2,1H3
InChIKeySXFANZXKMYFIOK-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.07
Rot. Bonds6

About 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one

4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one (PubChem CID 103990814) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
PubChem CID103990814
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCc2c(F)cccc2F)cc1
InChIInChI=1S/C17H16F2O2/c1-12(20)5-6-13-7-9-14(10-8-13)21-11-15-16(18)3-2-4-17(15)19/h2-4,7-10H,5-6,11H2,1H3
InChIKeySXFANZXKMYFIOK-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
CID 107881269
4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
CID 110885738
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 114930385
4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one
CID 105371732
S-[[4-[(2,6-difluorophenyl)methoxy]phenyl]methyl] 3-hydroxypropanethioate
CID 23570235
3-[4-[[2-(4-bromophenyl)-6-fluorophenyl]methoxy]phenyl]propanoic acid
CID 90017804
4-fluoro-3-[[4-(3-oxobutyl)phenoxy]methyl]benzonitrile
CID 24707921
ethyl 3-[4-[[2-fluoro-6-(4-methoxyphenyl)phenyl]methoxy]phenyl]propanoate
CID 90018758
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one
CID 9353837
4-[4-[[2-fluoro-6-(4-methylsulfanylphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 123340790
4-(4-pentoxyphenyl)butan-2-one
CID 19885189

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one?
The IUPAC name of 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one (CID 103990814) is 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one is CC(=O)CCc1ccc(OCc2c(F)cccc2F)cc1.
What is the InChIKey of 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one?
The InChIKey is SXFANZXKMYFIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-12(20)5-6-13-7-9-14(10-8-13)21-11-15-16(18)3-2-4-17(15)19/h2-4,7-10H,5-6,11H2,1H3.
What are the key properties of 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one?
4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one has a molecular weight of 290.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one is sourced from PubChem (CID 103990814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).