cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol

C10H11IOS — CID 79684542

IUPACcyclopenten-1-yl-(5-iodothiophen-3-yl)methanol
SMILESOC(C1=CCCC1)c1csc(I)c1
InChIInChI=1S/C10H11IOS/c11-9-5-8(6-13-9)10(12)7-3-1-2-4-7/h3,5-6,10,12H,1-2,4H2
InChIKeyPXBSMVQJEBWGHO-UHFFFAOYSA-N
MW306.17 g/mol
LogP3.50
Rot. Bonds2

About cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol

cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol (PubChem CID 79684542) has the molecular formula C10H11IOS and a molecular weight of 306.17 g/mol. Its IUPAC name is cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol.

Molecular Properties

Compound Namecyclopenten-1-yl-(5-iodothiophen-3-yl)methanol
PubChem CID79684542
Molecular FormulaC10H11IOS
Molecular Weight306.17 g/mol
Exact Mass305.96
IUPAC Namecyclopenten-1-yl-(5-iodothiophen-3-yl)methanol
SMILESOC(C1=CCCC1)c1csc(I)c1
InChIInChI=1S/C10H11IOS/c11-9-5-8(6-13-9)10(12)7-3-1-2-4-7/h3,5-6,10,12H,1-2,4H2
InChIKeyPXBSMVQJEBWGHO-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol?
The IUPAC name of cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol (CID 79684542) is cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol.
What is the SMILES notation for cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol?
The canonical SMILES for cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol is OC(C1=CCCC1)c1csc(I)c1.
What is the InChIKey of cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol?
The InChIKey is PXBSMVQJEBWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IOS/c11-9-5-8(6-13-9)10(12)7-3-1-2-4-7/h3,5-6,10,12H,1-2,4H2.
What are the key properties of cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol?
cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol has a molecular weight of 306.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol is sourced from PubChem (CID 79684542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).