(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone

C12H7Br2IO2S — CID 80536150

IUPAC(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H7Br2IO2S/c1-17-9-3-2-6(15)4-7(9)11(16)10-5-8(13)12(14)18-10/h2-5H,1H3
InChIKeyCEQIMCRGODUGCB-UHFFFAOYSA-N
MW501.97 g/mol
LogP5.12
Rot. Bonds3

About (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone

(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 80536150) has the molecular formula C12H7Br2IO2S and a molecular weight of 501.97 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
PubChem CID80536150
Molecular FormulaC12H7Br2IO2S
Molecular Weight501.97 g/mol
Exact Mass499.76
IUPAC Name(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H7Br2IO2S/c1-17-9-3-2-6(15)4-7(9)11(16)10-5-8(13)12(14)18-10/h2-5H,1H3
InChIKeyCEQIMCRGODUGCB-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.97
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone 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

(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 65237438
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 80536132
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 80531615
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 107959880
(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 114019718
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone
CID 81270140
(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 80536273
(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79981857

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone (CID 80536150) is (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is CEQIMCRGODUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2IO2S/c1-17-9-3-2-6(15)4-7(9)11(16)10-5-8(13)12(14)18-10/h2-5H,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 501.97 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 80536150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).