4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one

C17H16ClFO2 — CID 107881269

IUPAC4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H16ClFO2/c1-12(20)2-3-13-4-7-15(8-5-13)21-11-14-6-9-16(18)17(19)10-14/h4-10H,2-3,11H2,1H3
InChIKeyAYFQHEOEXGNWNA-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.58
Rot. Bonds6

About 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one

4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one (PubChem CID 107881269) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
PubChem CID107881269
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H16ClFO2/c1-12(20)2-3-13-4-7-15(8-5-13)21-11-14-6-9-16(18)17(19)10-14/h4-10H,2-3,11H2,1H3
InChIKeyAYFQHEOEXGNWNA-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
CID 103990814
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 91655713
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
CID 107888358
4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one
CID 105371732
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
4-fluoro-3-[[4-(3-oxobutyl)phenoxy]methyl]benzonitrile
CID 24707921
2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102794503
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
CID 24994059

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one?
The IUPAC name of 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one (CID 107881269) is 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one is CC(=O)CCc1ccc(OCc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one?
The InChIKey is AYFQHEOEXGNWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-12(20)2-3-13-4-7-15(8-5-13)21-11-14-6-9-16(18)17(19)10-14/h4-10H,2-3,11H2,1H3.
What are the key properties of 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one?
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one has a molecular weight of 306.76 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one is sourced from PubChem (CID 107881269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).