2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene

C15H16BrClS — CID 79434857

IUPAC2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene
SMILESCCc1ccc(CC(CBr)c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H16BrClS/c1-2-14-7-8-15(18-14)9-12(10-16)11-3-5-13(17)6-4-11/h3-8,12H,2,9-10H2,1H3
InChIKeyVYLSQKCMNPFYEV-UHFFFAOYSA-N
MW343.72 g/mol
LogP5.69
Rot. Bonds5

About 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene

2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene (PubChem CID 79434857) has the molecular formula C15H16BrClS and a molecular weight of 343.72 g/mol. Its IUPAC name is 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene
PubChem CID79434857
Molecular FormulaC15H16BrClS
Molecular Weight343.72 g/mol
Exact Mass341.98
IUPAC Name2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene
SMILESCCc1ccc(CC(CBr)c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H16BrClS/c1-2-14-7-8-15(18-14)9-12(10-16)11-3-5-13(17)6-4-11/h3-8,12H,2,9-10H2,1H3
InChIKeyVYLSQKCMNPFYEV-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.72
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
2-[3-bromo-2-(2-chlorophenyl)propyl]-5-ethylthiophene
CID 79454711
2-[3-bromo-2-(4-bromophenyl)propyl]-5-chlorothiophene
CID 79434777
2-[3-bromo-2-(4-chlorophenyl)propyl]thiophene
CID 79434107
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
CID 79441567
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
5-[3-bromo-2-(4-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 79435546
1-(1-bromo-4-ethylhexan-2-yl)-4-chlorobenzene
CID 82934984
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057
2-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-5-ethylthiophene
CID 66042924

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene?
The IUPAC name of 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene (CID 79434857) is 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene.
What is the SMILES notation for 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene?
The canonical SMILES for 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene is CCc1ccc(CC(CBr)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene?
The InChIKey is VYLSQKCMNPFYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClS/c1-2-14-7-8-15(18-14)9-12(10-16)11-3-5-13(17)6-4-11/h3-8,12H,2,9-10H2,1H3.
What are the key properties of 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene?
2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene has a molecular weight of 343.72 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene is sourced from PubChem (CID 79434857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).