2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone

C13H11IO2S — CID 60659687

IUPAC2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(I)cc2)s1
InChIInChI=1S/C13H11IO2S/c1-9-2-7-13(17-9)12(15)8-16-11-5-3-10(14)4-6-11/h2-7H,8H2,1H3
InChIKeyHLTIBKWIMSVKQY-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.92
Rot. Bonds4

About 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone

2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 60659687) has the molecular formula C13H11IO2S and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID60659687
Molecular FormulaC13H11IO2S
Molecular Weight358.20 g/mol
Exact Mass357.95
IUPAC Name2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(I)cc2)s1
InChIInChI=1S/C13H11IO2S/c1-9-2-7-13(17-9)12(15)8-16-11-5-3-10(14)4-6-11/h2-7H,8H2,1H3
InChIKeyHLTIBKWIMSVKQY-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.92
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

2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
CID 43612371
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233
1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314229
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone
CID 64601849
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62034019
1-[4-(4-iodophenyl)phenoxy]propan-2-one
CID 60624034
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799666
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
CID 60626805

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone (CID 60659687) is 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)COc2ccc(I)cc2)s1.
What is the InChIKey of 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is HLTIBKWIMSVKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO2S/c1-9-2-7-13(17-9)12(15)8-16-11-5-3-10(14)4-6-11/h2-7H,8H2,1H3.
What are the key properties of 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone?
2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 358.20 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 60659687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).