1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol

C8H11IOS — CID 137364097

IUPAC1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1sccc1I
InChIInChI=1S/C8H11IOS/c1-8(2,10)5-7-6(9)3-4-11-7/h3-4,10H,5H2,1-2H3
InChIKeyMCMUYBGSRIEVFZ-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.67
Rot. Bonds2

About 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol

1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol (PubChem CID 137364097) has the molecular formula C8H11IOS and a molecular weight of 282.15 g/mol. Its IUPAC name is 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol
PubChem CID137364097
Molecular FormulaC8H11IOS
Molecular Weight282.15 g/mol
Exact Mass281.96
IUPAC Name1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1sccc1I
InChIInChI=1S/C8H11IOS/c1-8(2,10)5-7-6(9)3-4-11-7/h3-4,10H,5H2,1-2H3
InChIKeyMCMUYBGSRIEVFZ-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
CID 65147917
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
2,3-diiodothiophene
CID 630668
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965
1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
CID 126511396
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
CID 18466748
2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol
CID 79007567
1-(3-chlorothiophen-2-yl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 112749476
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
1-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79389466
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039628
2,2-dimethyl-3-(3-methylthiophen-2-yl)propanenitrile
CID 116927724

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol (CID 137364097) is 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol is CC(C)(O)Cc1sccc1I.
What is the InChIKey of 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol?
The InChIKey is MCMUYBGSRIEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IOS/c1-8(2,10)5-7-6(9)3-4-11-7/h3-4,10H,5H2,1-2H3.
What are the key properties of 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol?
1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol has a molecular weight of 282.15 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 137364097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).