2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride

C16H12ClIS — CID 172831683

IUPAC2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride
SMILESCl.Ic1cc(-c2ccccc2-c2ccccc2)cs1
InChIInChI=1S/C16H11IS.ClH/c17-16-10-13(11-18-16)15-9-5-4-8-14(15)12-6-2-1-3-7-12;/h1-11H;1H
InChIKeyVPDDSTCUJDFXGS-UHFFFAOYSA-N
MW398.70 g/mol
LogP6.11
Rot. Bonds2

About 2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride

2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride (PubChem CID 172831683) has the molecular formula C16H12ClIS and a molecular weight of 398.70 g/mol. Its IUPAC name is 2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride.

Molecular Properties

Compound Name2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride
PubChem CID172831683
Molecular FormulaC16H12ClIS
Molecular Weight398.70 g/mol
Exact Mass397.94
IUPAC Name2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride
SMILESCl.Ic1cc(-c2ccccc2-c2ccccc2)cs1
InChIInChI=1S/C16H11IS.ClH/c17-16-10-13(11-18-16)15-9-5-4-8-14(15)12-6-2-1-3-7-12;/h1-11H;1H
InChIKeyVPDDSTCUJDFXGS-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-iodo-4-(2-phenylphenyl)thiophene;hydrochloride?
The IUPAC name of 2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride (CID 172831683) is 2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride.
What is the SMILES notation for 2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride?
The canonical SMILES for 2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride is Cl.Ic1cc(-c2ccccc2-c2ccccc2)cs1.
What is the InChIKey of 2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride?
The InChIKey is VPDDSTCUJDFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IS.ClH/c17-16-10-13(11-18-16)15-9-5-4-8-14(15)12-6-2-1-3-7-12;/h1-11H;1H.
What are the key properties of 2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride?
2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride has a molecular weight of 398.70 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(2-phenylphenyl)thiophene;hydrochloride is sourced from PubChem (CID 172831683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).