(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone

C12H8BrIO2S — CID 107959880

IUPAC(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1csc(Br)c1
InChIInChI=1S/C12H8BrIO2S/c1-16-10-3-2-8(14)5-9(10)12(15)7-4-11(13)17-6-7/h2-6H,1H3
InChIKeyAPSRCFWGZUVQIP-UHFFFAOYSA-N
MW423.07 g/mol
LogP4.35
Rot. Bonds3

About (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone

(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 107959880) has the molecular formula C12H8BrIO2S and a molecular weight of 423.07 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
PubChem CID107959880
Molecular FormulaC12H8BrIO2S
Molecular Weight423.07 g/mol
Exact Mass421.85
IUPAC Name(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1csc(Br)c1
InChIInChI=1S/C12H8BrIO2S/c1-16-10-3-2-8(14)5-9(10)12(15)7-4-11(13)17-6-7/h2-6H,1H3
InChIKeyAPSRCFWGZUVQIP-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.07
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80536150
(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105721
2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone
CID 43339712
(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 114019718
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone (CID 107959880) is (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is APSRCFWGZUVQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIO2S/c1-16-10-3-2-8(14)5-9(10)12(15)7-4-11(13)17-6-7/h2-6H,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone?
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 423.07 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 107959880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).