2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene

C18H14BrClS — CID 66607744

IUPAC2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene
SMILESClc1ccc(Br)cc1CCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H14BrClS/c19-15-7-10-17(20)14(12-15)6-8-16-9-11-18(21-16)13-4-2-1-3-5-13/h1-5,7,9-12H,6,8H2
InChIKeyAORIBFXUMIPXAL-UHFFFAOYSA-N
MW377.73 g/mol
LogP6.62
Rot. Bonds4

About 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene

2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene (PubChem CID 66607744) has the molecular formula C18H14BrClS and a molecular weight of 377.73 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene.

Molecular Properties

Compound Name2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene
PubChem CID66607744
Molecular FormulaC18H14BrClS
Molecular Weight377.73 g/mol
Exact Mass375.97
IUPAC Name2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene
SMILESClc1ccc(Br)cc1CCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H14BrClS/c19-15-7-10-17(20)14(12-15)6-8-16-9-11-18(21-16)13-4-2-1-3-5-13/h1-5,7,9-12H,6,8H2
InChIKeyAORIBFXUMIPXAL-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.73
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene?
The IUPAC name of 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene (CID 66607744) is 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene.
What is the SMILES notation for 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene?
The canonical SMILES for 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene is Clc1ccc(Br)cc1CCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene?
The InChIKey is AORIBFXUMIPXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClS/c19-15-7-10-17(20)14(12-15)6-8-16-9-11-18(21-16)13-4-2-1-3-5-13/h1-5,7,9-12H,6,8H2.
What are the key properties of 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene?
2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene has a molecular weight of 377.73 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-chlorophenyl)ethyl]-5-phenylthiophene is sourced from PubChem (CID 66607744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).