2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol

C14H11IOS3 — CID 134963881

IUPAC2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol
SMILESOCCc1ccc(-c2ccc(-c3ccc(I)s3)s2)s1
InChIInChI=1S/C14H11IOS3/c15-14-6-5-13(19-14)12-4-3-11(18-12)10-2-1-9(17-10)7-8-16/h1-6,16H,7-8H2
InChIKeyLXVXFZYRFFYUEX-UHFFFAOYSA-N
MW418.35 g/mol
LogP5.34
Rot. Bonds4

About 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol

2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol (PubChem CID 134963881) has the molecular formula C14H11IOS3 and a molecular weight of 418.35 g/mol. Its IUPAC name is 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol
PubChem CID134963881
Molecular FormulaC14H11IOS3
Molecular Weight418.35 g/mol
Exact Mass417.90
IUPAC Name2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol
SMILESOCCc1ccc(-c2ccc(-c3ccc(I)s3)s2)s1
InChIInChI=1S/C14H11IOS3/c15-14-6-5-13(19-14)12-4-3-11(18-12)10-2-1-9(17-10)7-8-16/h1-6,16H,7-8H2
InChIKeyLXVXFZYRFFYUEX-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.35
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol?
The IUPAC name of 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol (CID 134963881) is 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol.
What is the SMILES notation for 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol?
The canonical SMILES for 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol is OCCc1ccc(-c2ccc(-c3ccc(I)s3)s2)s1.
What is the InChIKey of 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol?
The InChIKey is LXVXFZYRFFYUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IOS3/c15-14-6-5-13(19-14)12-4-3-11(18-12)10-2-1-9(17-10)7-8-16/h1-6,16H,7-8H2.
What are the key properties of 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol?
2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol has a molecular weight of 418.35 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol is sourced from PubChem (CID 134963881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).