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

C16H14F2O2 — CID 62196384

IUPAC1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C16H14F2O2/c1-20-16-5-3-2-4-12(16)9-14(19)8-11-6-7-13(17)10-15(11)18/h2-7,10H,8-9H2,1H3
InChIKeyNKCNIGPRJJNENR-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.33
Rot. Bonds5

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

1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one (PubChem CID 62196384) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
PubChem CID62196384
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C16H14F2O2/c1-20-16-5-3-2-4-12(16)9-14(19)8-11-6-7-13(17)10-15(11)18/h2-7,10H,8-9H2,1H3
InChIKeyNKCNIGPRJJNENR-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-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 66058898
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793
2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
CID 114053696
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
3-(2-methoxyphenyl)-2-oxopropane-1-sulfonyl fluoride
CID 115045814
1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 64559645

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one (CID 62196384) is 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one is COc1ccccc1CC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one?
The InChIKey is NKCNIGPRJJNENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-20-16-5-3-2-4-12(16)9-14(19)8-11-6-7-13(17)10-15(11)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one?
1-(2,4-difluorophenyl)-3-(2-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-(2-methoxyphenyl)propan-2-one is sourced from PubChem (CID 62196384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).