1,3-bis(4-iodophenyl)propane-1,3-dione

C15H10I2O2 — CID 15256965

IUPAC1,3-bis(4-iodophenyl)propane-1,3-dione
SMILESO=C(CC(=O)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H10I2O2/c16-12-5-1-10(2-6-12)14(18)9-15(19)11-3-7-13(17)8-4-11/h1-8H,9H2
InChIKeyMRKSUTGTXLYQJD-UHFFFAOYSA-N
MW476.05 g/mol
LogP4.35
Rot. Bonds4

About 1,3-bis(4-iodophenyl)propane-1,3-dione

1,3-bis(4-iodophenyl)propane-1,3-dione (PubChem CID 15256965) has the molecular formula C15H10I2O2 and a molecular weight of 476.05 g/mol. Its IUPAC name is 1,3-bis(4-iodophenyl)propane-1,3-dione.

Molecular Properties

Compound Name1,3-bis(4-iodophenyl)propane-1,3-dione
PubChem CID15256965
Molecular FormulaC15H10I2O2
Molecular Weight476.05 g/mol
Exact Mass475.88
IUPAC Name1,3-bis(4-iodophenyl)propane-1,3-dione
SMILESO=C(CC(=O)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H10I2O2/c16-12-5-1-10(2-6-12)14(18)9-15(19)11-3-7-13(17)8-4-11/h1-8H,9H2
InChIKeyMRKSUTGTXLYQJD-UHFFFAOYSA-N
XLogP4.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.05
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-(4-iodophenyl)ethanone
CID 87150711
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
CID 24723892
1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
CID 43160312
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-bromo-1-(4-iodophenyl)ethanone;1-(4-iodophenyl)ethanone
CID 159611000
1-(4-iodophenyl)-2-(4-methylanilino)ethanone
CID 35580992
2-(4-iodoanilino)-1-(4-methylphenyl)ethanone
CID 110823714
6-chloro-1-(4-iodophenyl)hexan-1-one
CID 24723862

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-iodophenyl)propane-1,3-dione?
The IUPAC name of 1,3-bis(4-iodophenyl)propane-1,3-dione (CID 15256965) is 1,3-bis(4-iodophenyl)propane-1,3-dione.
What is the SMILES notation for 1,3-bis(4-iodophenyl)propane-1,3-dione?
The canonical SMILES for 1,3-bis(4-iodophenyl)propane-1,3-dione is O=C(CC(=O)c1ccc(I)cc1)c1ccc(I)cc1.
What is the InChIKey of 1,3-bis(4-iodophenyl)propane-1,3-dione?
The InChIKey is MRKSUTGTXLYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10I2O2/c16-12-5-1-10(2-6-12)14(18)9-15(19)11-3-7-13(17)8-4-11/h1-8H,9H2.
What are the key properties of 1,3-bis(4-iodophenyl)propane-1,3-dione?
1,3-bis(4-iodophenyl)propane-1,3-dione has a molecular weight of 476.05 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-iodophenyl)propane-1,3-dione is sourced from PubChem (CID 15256965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).