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

C14H13IOS — CID 114974142

IUPAC1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone
SMILESCCc1ccc(C(=O)Cc2ccc(I)cc2)s1
InChIInChI=1S/C14H13IOS/c1-2-12-7-8-14(17-12)13(16)9-10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3
InChIKeyHJOXRJDXYWXOPJ-UHFFFAOYSA-N
MW356.23 g/mol
LogP4.34
Rot. Bonds4

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

1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone (PubChem CID 114974142) has the molecular formula C14H13IOS and a molecular weight of 356.23 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone
PubChem CID114974142
Molecular FormulaC14H13IOS
Molecular Weight356.23 g/mol
Exact Mass355.97
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone
SMILESCCc1ccc(C(=O)Cc2ccc(I)cc2)s1
InChIInChI=1S/C14H13IOS/c1-2-12-7-8-14(17-12)13(16)9-10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3
InChIKeyHJOXRJDXYWXOPJ-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 54.34
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-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone (CID 114974142) is 1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone is CCc1ccc(C(=O)Cc2ccc(I)cc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone?
The InChIKey is HJOXRJDXYWXOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IOS/c1-2-12-7-8-14(17-12)13(16)9-10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone?
1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone has a molecular weight of 356.23 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone is sourced from PubChem (CID 114974142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).