3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one

C16H14ClFO2 — CID 24726545

IUPAC3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CCc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C16H14ClFO2/c1-20-15-4-2-3-12(9-15)16(19)6-5-11-7-13(17)10-14(18)8-11/h2-4,7-10H,5-6H2,1H3
InChIKeyLSTJAQXGKCPFLQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.30
Rot. Bonds5

About 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one

3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one (PubChem CID 24726545) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one
PubChem CID24726545
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CCc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C16H14ClFO2/c1-20-15-4-2-3-12(9-15)16(19)6-5-11-7-13(17)10-14(18)8-11/h2-4,7-10H,5-6H2,1H3
InChIKeyLSTJAQXGKCPFLQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one
CID 24726555
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one
CID 146006671
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one
CID 62619389
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2,6-dichloro-4-[3-(3-methoxyphenyl)propanoyl]benzoic acid
CID 167567818

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one (CID 24726545) is 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one is COc1cccc(C(=O)CCc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one?
The InChIKey is LSTJAQXGKCPFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-20-15-4-2-3-12(9-15)16(19)6-5-11-7-13(17)10-14(18)8-11/h2-4,7-10H,5-6H2,1H3.
What are the key properties of 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one?
3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one has a molecular weight of 292.74 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 24726545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).