1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol

C13H13IOS — CID 105101095

IUPAC1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccc(I)cc1)Cc1ccsc1
InChIInChI=1S/C13H13IOS/c14-12-3-1-10(2-4-12)7-13(15)8-11-5-6-16-9-11/h1-6,9,13,15H,7-8H2
InChIKeyNAWLEKLPSNTQHG-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.50
Rot. Bonds4

About 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol

1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 105101095) has the molecular formula C13H13IOS and a molecular weight of 344.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
PubChem CID105101095
Molecular FormulaC13H13IOS
Molecular Weight344.22 g/mol
Exact Mass343.97
IUPAC Name1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccc(I)cc1)Cc1ccsc1
InChIInChI=1S/C13H13IOS/c14-12-3-1-10(2-4-12)7-13(15)8-11-5-6-16-9-11/h1-6,9,13,15H,7-8H2
InChIKeyNAWLEKLPSNTQHG-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.50
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-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115788878
3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
CID 63518110
1-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
CID 62607844
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058
1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62607480
3-(2,2-dibromoethyl)thiophene
CID 174416053
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol (CID 105101095) is 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol is OC(Cc1ccc(I)cc1)Cc1ccsc1.
What is the InChIKey of 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is NAWLEKLPSNTQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IOS/c14-12-3-1-10(2-4-12)7-13(15)8-11-5-6-16-9-11/h1-6,9,13,15H,7-8H2.
What are the key properties of 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol?
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 344.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 105101095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).