(5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone

C15H15IOS — CID 79686034

IUPAC(5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2csc(I)c2)c1C
InChIInChI=1S/C15H15IOS/c1-8-5-9(2)11(4)14(10(8)3)15(17)12-6-13(16)18-7-12/h5-7H,1-4H3
InChIKeyRIWJKJJTSIMHNI-UHFFFAOYSA-N
MW370.26 g/mol
LogP4.82
Rot. Bonds2

About (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone

(5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 79686034) has the molecular formula C15H15IOS and a molecular weight of 370.26 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID79686034
Molecular FormulaC15H15IOS
Molecular Weight370.26 g/mol
Exact Mass369.99
IUPAC Name(5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2csc(I)c2)c1C
InChIInChI=1S/C15H15IOS/c1-8-5-9(2)11(4)14(10(8)3)15(17)12-6-13(16)18-7-12/h5-7H,1-4H3
InChIKeyRIWJKJJTSIMHNI-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone
CID 79685566
(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methanone
CID 79735419
(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 114972960
(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone
CID 79685758
N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide
CID 79692773
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43337332
N'-acetyl-5-iodothiophene-3-carbohydrazide
CID 78950515
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
1-(5-iodothiophen-3-yl)-2-methylsulfanylethanone
CID 79693794
N-(2,4-dimethyl-5-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 115618087

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone (CID 79686034) is (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)c2csc(I)c2)c1C.
What is the InChIKey of (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is RIWJKJJTSIMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IOS/c1-8-5-9(2)11(4)14(10(8)3)15(17)12-6-13(16)18-7-12/h5-7H,1-4H3.
What are the key properties of (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone?
(5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 370.26 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 79686034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).