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

Name: 2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₁IOS₃ — CID 134963881

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol
PubChem CID	134963881
Molecular Formula	C₁₄H₁₁IOS₃
Molecular Weight	418.35 g/mol
Exact Mass	417.90
IUPAC Name	2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol
SMILES	OCCc1ccc(-c2ccc(-c3ccc(I)s3)s2)s1
InChI	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
InChIKey	LXVXFZYRFFYUEX-UHFFFAOYSA-N
XLogP	5.34
TPSA	20.23 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.35
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 134963881 — identifiers, structure, computed properties (public domain)

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