(5-ethylthiophen-2-yl)-(3-iodophenyl)methanone

C13H11IOS — CID 43160910

IUPAC(5-ethylthiophen-2-yl)-(3-iodophenyl)methanone
SMILESCCc1ccc(C(=O)c2cccc(I)c2)s1
InChIInChI=1S/C13H11IOS/c1-2-11-6-7-12(16-11)13(15)9-4-3-5-10(14)8-9/h3-8H,2H2,1H3
InChIKeyDTTATTATPQJVKK-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.15
Rot. Bonds3

About (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone

(5-ethylthiophen-2-yl)-(3-iodophenyl)methanone (PubChem CID 43160910) has the molecular formula C13H11IOS and a molecular weight of 342.20 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(3-iodophenyl)methanone
PubChem CID43160910
Molecular FormulaC13H11IOS
Molecular Weight342.20 g/mol
Exact Mass341.96
IUPAC Name(5-ethylthiophen-2-yl)-(3-iodophenyl)methanone
SMILESCCc1ccc(C(=O)c2cccc(I)c2)s1
InChIInChI=1S/C13H11IOS/c1-2-11-6-7-12(16-11)13(15)9-4-3-5-10(14)8-9/h3-8H,2H2,1H3
InChIKeyDTTATTATPQJVKK-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.15
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 (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone (CID 43160910) is (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone is CCc1ccc(C(=O)c2cccc(I)c2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone?
The InChIKey is DTTATTATPQJVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IOS/c1-2-11-6-7-12(16-11)13(15)9-4-3-5-10(14)8-9/h3-8H,2H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone?
(5-ethylthiophen-2-yl)-(3-iodophenyl)methanone has a molecular weight of 342.20 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(3-iodophenyl)methanone is sourced from PubChem (CID 43160910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).