2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene

C17H12BrClS — CID 66607868

IUPAC2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene
SMILESClc1ccc(Cc2cc(Br)ccc2-c2ccccc2)s1
InChIInChI=1S/C17H12BrClS/c18-14-6-8-16(12-4-2-1-3-5-12)13(10-14)11-15-7-9-17(19)20-15/h1-10H,11H2
InChIKeyMOOGFOAKKKKPER-UHFFFAOYSA-N
MW363.71 g/mol
LogP6.42
Rot. Bonds3

About 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene

2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene (PubChem CID 66607868) has the molecular formula C17H12BrClS and a molecular weight of 363.71 g/mol. Its IUPAC name is 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene.

Molecular Properties

Compound Name2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene
PubChem CID66607868
Molecular FormulaC17H12BrClS
Molecular Weight363.71 g/mol
Exact Mass361.95
IUPAC Name2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene
SMILESClc1ccc(Cc2cc(Br)ccc2-c2ccccc2)s1
InChIInChI=1S/C17H12BrClS/c18-14-6-8-16(12-4-2-1-3-5-12)13(10-14)11-15-7-9-17(19)20-15/h1-10H,11H2
InChIKeyMOOGFOAKKKKPER-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.71
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene?
The IUPAC name of 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene (CID 66607868) is 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene.
What is the SMILES notation for 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene?
The canonical SMILES for 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene is Clc1ccc(Cc2cc(Br)ccc2-c2ccccc2)s1.
What is the InChIKey of 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene?
The InChIKey is MOOGFOAKKKKPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClS/c18-14-6-8-16(12-4-2-1-3-5-12)13(10-14)11-15-7-9-17(19)20-15/h1-10H,11H2.
What are the key properties of 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene?
2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene has a molecular weight of 363.71 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene is sourced from PubChem (CID 66607868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).