1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone

C16H14F2O2 — CID 79522962

IUPAC1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H14F2O2/c1-10-6-7-15(20-2)11(8-10)9-14(19)16-12(17)4-3-5-13(16)18/h3-8H,9H2,1-2H3
InChIKeyAASKBDRTLJAOFV-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.71
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone

1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 79522962) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID79522962
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H14F2O2/c1-10-6-7-15(20-2)11(8-10)9-14(19)16-12(17)4-3-5-13(16)18/h3-8H,9H2,1-2H3
InChIKeyAASKBDRTLJAOFV-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 105085227
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116577757
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 79495074
1-chloro-1,1-difluoro-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 112574712
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone (CID 79522962) is 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is AASKBDRTLJAOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-10-6-7-15(20-2)11(8-10)9-14(19)16-12(17)4-3-5-13(16)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 276.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 79522962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).