1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one

C16H14F2O2 — CID 62196543

IUPAC1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H14F2O2/c1-20-15-4-2-3-11(8-15)7-14(19)9-12-5-6-13(17)10-16(12)18/h2-6,8,10H,7,9H2,1H3
InChIKeyDAASVMZZIHKTQF-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.33
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one

1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one (PubChem CID 62196543) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
PubChem CID62196543
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H14F2O2/c1-20-15-4-2-3-11(8-15)7-14(19)9-12-5-6-13(17)10-16(12)18/h2-6,8,10H,7,9H2,1H3
InChIKeyDAASVMZZIHKTQF-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one (CID 62196543) is 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is DAASVMZZIHKTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-20-15-4-2-3-11(8-15)7-14(19)9-12-5-6-13(17)10-16(12)18/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 276.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 62196543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).