3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol

C7H8ClIOS — CID 175576298

IUPAC3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol
SMILESOC(CCCl)c1ccc(I)s1
InChIInChI=1S/C7H8ClIOS/c8-4-3-5(10)6-1-2-7(9)11-6/h1-2,5,10H,3-4H2
InChIKeySYYXYQLESZEGMJ-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol

3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol (PubChem CID 175576298) has the molecular formula C7H8ClIOS and a molecular weight of 302.56 g/mol. Its IUPAC name is 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol
PubChem CID175576298
Molecular FormulaC7H8ClIOS
Molecular Weight302.56 g/mol
Exact Mass301.90
IUPAC Name3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol
SMILESOC(CCCl)c1ccc(I)s1
InChIInChI=1S/C7H8ClIOS/c8-4-3-5(10)6-1-2-7(9)11-6/h1-2,5,10H,3-4H2
InChIKeySYYXYQLESZEGMJ-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol?
The IUPAC name of 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol (CID 175576298) is 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol is OC(CCCl)c1ccc(I)s1.
What is the InChIKey of 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol?
The InChIKey is SYYXYQLESZEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClIOS/c8-4-3-5(10)6-1-2-7(9)11-6/h1-2,5,10H,3-4H2.
What are the key properties of 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol?
3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol has a molecular weight of 302.56 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-iodothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 175576298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).