1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one

C16H14ClFO2 — CID 103046633

IUPAC1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H14ClFO2/c1-2-15(19)13-5-3-4-6-16(13)20-10-11-9-12(17)7-8-14(11)18/h3-9H,2,10H2,1H3
InChIKeyVMUGVLXZDOKRKM-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.65
Rot. Bonds5

About 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one

1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one (PubChem CID 103046633) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
PubChem CID103046633
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H14ClFO2/c1-2-15(19)13-5-3-4-6-16(13)20-10-11-9-12(17)7-8-14(11)18/h3-9H,2,10H2,1H3
InChIKeyVMUGVLXZDOKRKM-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile
CID 103758745
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 103046950
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone
CID 103046263
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281
1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one
CID 63530895

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one (CID 103046633) is 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one?
The InChIKey is VMUGVLXZDOKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-2-15(19)13-5-3-4-6-16(13)20-10-11-9-12(17)7-8-14(11)18/h3-9H,2,10H2,1H3.
What are the key properties of 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one?
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one has a molecular weight of 292.74 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 103046633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).