1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone

C16H15FO3 — CID 43612412

IUPAC1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)c1cccc(F)c1
InChIInChI=1S/C16H15FO3/c1-11-6-7-15(16(8-11)19-2)20-10-14(18)12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyVIWMPFRMTUYNHP-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.40
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone

1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone (PubChem CID 43612412) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
PubChem CID43612412
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)c1cccc(F)c1
InChIInChI=1S/C16H15FO3/c1-11-6-7-15(16(8-11)19-2)20-10-14(18)12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyVIWMPFRMTUYNHP-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925
N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78765534
2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413893
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129
2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 91880258
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
3-ethoxy-4-[2-(3-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 8676993
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43413586
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone (CID 43612412) is 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone is COc1cc(C)ccc1OCC(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
The InChIKey is VIWMPFRMTUYNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11-6-7-15(16(8-11)19-2)20-10-14(18)12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone has a molecular weight of 274.29 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone is sourced from PubChem (CID 43612412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).