1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone

C15H13FO2 — CID 107658623

IUPAC1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2cccc(C)c2F)c1
InChIInChI=1S/C15H13FO2/c1-10-5-3-8-14(15(10)16)18-13-7-4-6-12(9-13)11(2)17/h3-9H,1-2H3
InChIKeyJMATUVSNQKDABZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP4.13
Rot. Bonds3

About 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone

1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone (PubChem CID 107658623) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
PubChem CID107658623
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2cccc(C)c2F)c1
InChIInChI=1S/C15H13FO2/c1-10-5-3-8-14(15(10)16)18-13-7-4-6-12(9-13)11(2)17/h3-9H,1-2H3
InChIKeyJMATUVSNQKDABZ-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-aminophenoxy)phenyl]ethanone
CID 154186967
1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
CID 79167211
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
3-(3-acetylphenoxy)-4-methylbenzonitrile
CID 107658586
4-(3-acetylphenoxy)-3-fluorobenzonitrile
CID 107665227
1-[3-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 79403294
1-[3-(2-methylphenoxy)phenyl]propan-1-one
CID 114079071
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
CID 47184501
2-amino-5-(2-fluoro-3-methylphenoxy)benzamide
CID 107659972
1-(3-hydroperoxyphenyl)ethanone
CID 21289599
4-(3-acetylphenoxy)-3,5-dimethylbenzonitrile
CID 79167595

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone (CID 107658623) is 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone is CC(=O)c1cccc(Oc2cccc(C)c2F)c1.
What is the InChIKey of 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone?
The InChIKey is JMATUVSNQKDABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10-5-3-8-14(15(10)16)18-13-7-4-6-12(9-13)11(2)17/h3-9H,1-2H3.
What are the key properties of 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone?
1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone has a molecular weight of 244.27 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone is sourced from PubChem (CID 107658623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).