3,4-diiodo-5,5-diphenylfuran-2-one

C16H10I2O2 — CID 139257538

IUPAC3,4-diiodo-5,5-diphenylfuran-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C(I)=C1I
InChIInChI=1S/C16H10I2O2/c17-13-14(18)16(20-15(13)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyBMMMYDURRWTLJS-UHFFFAOYSA-N
MW488.06 g/mol
LogP4.57
Rot. Bonds2

About 3,4-diiodo-5,5-diphenylfuran-2-one

3,4-diiodo-5,5-diphenylfuran-2-one (PubChem CID 139257538) has the molecular formula C16H10I2O2 and a molecular weight of 488.06 g/mol. Its IUPAC name is 3,4-diiodo-5,5-diphenylfuran-2-one.

Molecular Properties

Compound Name3,4-diiodo-5,5-diphenylfuran-2-one
PubChem CID139257538
Molecular FormulaC16H10I2O2
Molecular Weight488.06 g/mol
Exact Mass487.88
IUPAC Name3,4-diiodo-5,5-diphenylfuran-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C(I)=C1I
InChIInChI=1S/C16H10I2O2/c17-13-14(18)16(20-15(13)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyBMMMYDURRWTLJS-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.06
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-diiodo-5,5-diphenylfuran-2-one 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

2,2-diphenylfuran-3-one
CID 154310558
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
(5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one
CID 139914960
3,3-diphenylfuro[3,4-c]pyridin-1-one
CID 12671386
5-iodo-2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
CID 11771851
3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045968
5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione
CID 5256778
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
CID 71333879
3-benzyl-5,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 10904013
3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
CID 10920180
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
CID 129405830

Frequently Asked Questions

What is the IUPAC name of 3,4-diiodo-5,5-diphenylfuran-2-one?
The IUPAC name of 3,4-diiodo-5,5-diphenylfuran-2-one (CID 139257538) is 3,4-diiodo-5,5-diphenylfuran-2-one.
What is the SMILES notation for 3,4-diiodo-5,5-diphenylfuran-2-one?
The canonical SMILES for 3,4-diiodo-5,5-diphenylfuran-2-one is O=C1OC(c2ccccc2)(c2ccccc2)C(I)=C1I.
What is the InChIKey of 3,4-diiodo-5,5-diphenylfuran-2-one?
The InChIKey is BMMMYDURRWTLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10I2O2/c17-13-14(18)16(20-15(13)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3,4-diiodo-5,5-diphenylfuran-2-one?
3,4-diiodo-5,5-diphenylfuran-2-one has a molecular weight of 488.06 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diiodo-5,5-diphenylfuran-2-one is sourced from PubChem (CID 139257538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).