1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone

C16H15FO3 — CID 174747558

IUPAC1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone
SMILESCOC(OC)C(=O)c1cccc(-c2ccccc2)c1F
InChIInChI=1S/C16H15FO3/c1-19-16(20-2)15(18)13-10-6-9-12(14(13)17)11-7-4-3-5-8-11/h3-10,16H,1-2H3
InChIKeyJHOSUBVQGLHZND-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.29
Rot. Bonds5

About 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone

1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone (PubChem CID 174747558) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone.

Molecular Properties

Compound Name1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone
PubChem CID174747558
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone
SMILESCOC(OC)C(=O)c1cccc(-c2ccccc2)c1F
InChIInChI=1S/C16H15FO3/c1-19-16(20-2)15(18)13-10-6-9-12(14(13)17)11-7-4-3-5-8-11/h3-10,16H,1-2H3
InChIKeyJHOSUBVQGLHZND-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone?
The IUPAC name of 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone (CID 174747558) is 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone.
What is the SMILES notation for 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone?
The canonical SMILES for 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone is COC(OC)C(=O)c1cccc(-c2ccccc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone?
The InChIKey is JHOSUBVQGLHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-16(20-2)15(18)13-10-6-9-12(14(13)17)11-7-4-3-5-8-11/h3-10,16H,1-2H3.
What are the key properties of 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone?
1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone has a molecular weight of 274.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-phenylphenyl)-2,2-dimethoxyethanone is sourced from PubChem (CID 174747558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).