1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone

C12H8ClIOS — CID 114974177

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClIOS/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6H,7H2
InChIKeyDSMFIIYPPZQGAS-UHFFFAOYSA-N
MW362.62 g/mol
LogP4.43
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone

1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone (PubChem CID 114974177) has the molecular formula C12H8ClIOS and a molecular weight of 362.62 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone
PubChem CID114974177
Molecular FormulaC12H8ClIOS
Molecular Weight362.62 g/mol
Exact Mass361.90
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClIOS/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6H,7H2
InChIKeyDSMFIIYPPZQGAS-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.62
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone (CID 114974177) is 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone is O=C(Cc1ccc(I)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone?
The InChIKey is DSMFIIYPPZQGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIOS/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6H,7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone has a molecular weight of 362.62 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone is sourced from PubChem (CID 114974177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).