1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone

C15H12FIO — CID 65477472

IUPAC1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)Cc1ccc(I)cc1
InChIInChI=1S/C15H12FIO/c1-10-2-5-12(16)9-14(10)15(18)8-11-3-6-13(17)7-4-11/h2-7,9H,8H2,1H3
InChIKeyNTTYURZVEUWBAP-UHFFFAOYSA-N
MW354.16 g/mol
LogP4.16
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone

1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone (PubChem CID 65477472) has the molecular formula C15H12FIO and a molecular weight of 354.16 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
PubChem CID65477472
Molecular FormulaC15H12FIO
Molecular Weight354.16 g/mol
Exact Mass353.99
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)Cc1ccc(I)cc1
InChIInChI=1S/C15H12FIO/c1-10-2-5-12(16)9-14(10)15(18)8-11-3-6-13(17)7-4-11/h2-7,9H,8H2,1H3
InChIKeyNTTYURZVEUWBAP-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
CID 65478906
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
CID 114974192
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
2-(2,6-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 55187917
1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 81473906
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
CID 63490949

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone (CID 65477472) is 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone is Cc1ccc(F)cc1C(=O)Cc1ccc(I)cc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone?
The InChIKey is NTTYURZVEUWBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIO/c1-10-2-5-12(16)9-14(10)15(18)8-11-3-6-13(17)7-4-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone?
1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone has a molecular weight of 354.16 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone is sourced from PubChem (CID 65477472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).