1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone

C17H17IO — CID 114966101

IUPAC1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccc(I)cc2)c(C)c1
InChIInChI=1S/C17H17IO/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9H,10H2,1-3H3
InChIKeyLTCPXDHMZSEYCF-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.64
Rot. Bonds3

About 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone

1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 114966101) has the molecular formula C17H17IO and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID114966101
Molecular FormulaC17H17IO
Molecular Weight364.23 g/mol
Exact Mass364.03
IUPAC Name1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccc(I)cc2)c(C)c1
InChIInChI=1S/C17H17IO/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9H,10H2,1-3H3
InChIKeyLTCPXDHMZSEYCF-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
CID 62549667
N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide
CID 101424780
1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
CID 43160312
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966095
1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 153242677
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
2-(4-iodophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114974195
1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979460
4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CID 17497320
2-fluoro-1-(4-iodophenyl)ethanone
CID 87150711

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 114966101) is 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)c2ccc(I)cc2)c(C)c1.
What is the InChIKey of 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is LTCPXDHMZSEYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9H,10H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 364.23 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 114966101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).