2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene

C14H14BrClS — CID 66607665

IUPAC2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene
SMILESCCCc1ccc(Cc2cc(Br)ccc2Cl)s1
InChIInChI=1S/C14H14BrClS/c1-2-3-12-5-6-13(17-12)9-10-8-11(15)4-7-14(10)16/h4-8H,2-3,9H2,1H3
InChIKeyOUWQRZPITDKLJG-UHFFFAOYSA-N
MW329.69 g/mol
LogP5.71
Rot. Bonds4

About 2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene

2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene (PubChem CID 66607665) has the molecular formula C14H14BrClS and a molecular weight of 329.69 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene
PubChem CID66607665
Molecular FormulaC14H14BrClS
Molecular Weight329.69 g/mol
Exact Mass327.97
IUPAC Name2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene
SMILESCCCc1ccc(Cc2cc(Br)ccc2Cl)s1
InChIInChI=1S/C14H14BrClS/c1-2-3-12-5-6-13(17-12)9-10-8-11(15)4-7-14(10)16/h4-8H,2-3,9H2,1H3
InChIKeyOUWQRZPITDKLJG-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.69
LogP ≤ 55.71
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-chlorophenyl)methyl]-5-propylthiophene?
The IUPAC name of 2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene (CID 66607665) is 2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene.
What is the SMILES notation for 2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene?
The canonical SMILES for 2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene is CCCc1ccc(Cc2cc(Br)ccc2Cl)s1.
What is the InChIKey of 2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene?
The InChIKey is OUWQRZPITDKLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClS/c1-2-3-12-5-6-13(17-12)9-10-8-11(15)4-7-14(10)16/h4-8H,2-3,9H2,1H3.
What are the key properties of 2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene?
2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene has a molecular weight of 329.69 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chlorophenyl)methyl]-5-propylthiophene is sourced from PubChem (CID 66607665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).