1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one

C16H14F2O2 — CID 62620261

IUPAC1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H14F2O2/c1-20-16-4-2-3-11(9-16)7-15(19)8-12-5-13(17)10-14(18)6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyKYYUZINMCCSNEM-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.33
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one

1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one (PubChem CID 62620261) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
PubChem CID62620261
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H14F2O2/c1-20-16-4-2-3-11(9-16)7-15(19)8-12-5-13(17)10-14(18)6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyKYYUZINMCCSNEM-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-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
1-(3-methoxyphenyl)hex-4-yn-2-one
CID 62311381
1-(3-methoxyphenyl)heptan-2-one
CID 61056670
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one (CID 62620261) is 1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)Cc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is KYYUZINMCCSNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-20-16-4-2-3-11(9-16)7-15(19)8-12-5-13(17)10-14(18)6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
1-(3,5-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-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 62620261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).