1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone

C15H12F2O3 — CID 43222244

IUPAC1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H12F2O3/c1-19-10-4-2-5-11(8-10)20-9-14(18)15-12(16)6-3-7-13(15)17/h2-8H,9H2,1H3
InChIKeyPDOOVVFOLWOGQR-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.24
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone

1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone (PubChem CID 43222244) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
PubChem CID43222244
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H12F2O3/c1-19-10-4-2-5-11(8-10)20-9-14(18)15-12(16)6-3-7-13(15)17/h2-8H,9H2,1H3
InChIKeyPDOOVVFOLWOGQR-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
CID 60662380
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone
CID 83140068
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333
1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612545
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 61218583
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
2-(3-fluorophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43413394

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone (CID 43222244) is 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone is COc1cccc(OCC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone?
The InChIKey is PDOOVVFOLWOGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-10-4-2-5-11(8-10)20-9-14(18)15-12(16)6-3-7-13(15)17/h2-8H,9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone?
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone has a molecular weight of 278.25 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone is sourced from PubChem (CID 43222244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).