2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene

C15H14Br2S — CID 63529237

IUPAC2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESBrc1cccc(CC(Br)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C15H14Br2S/c16-12-5-1-3-10(7-12)8-13(17)15-9-11-4-2-6-14(11)18-15/h1,3,5,7,9,13H,2,4,6,8H2
InChIKeyWHLOBAKDRNPSJN-UHFFFAOYSA-N
MW386.15 g/mol
LogP5.68
Rot. Bonds3

About 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene

2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 63529237) has the molecular formula C15H14Br2S and a molecular weight of 386.15 g/mol. Its IUPAC name is 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID63529237
Molecular FormulaC15H14Br2S
Molecular Weight386.15 g/mol
Exact Mass383.92
IUPAC Name2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESBrc1cccc(CC(Br)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C15H14Br2S/c16-12-5-1-3-10(7-12)8-13(17)15-9-11-4-2-6-14(11)18-15/h1,3,5,7,9,13H,2,4,6,8H2
InChIKeyWHLOBAKDRNPSJN-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.15
LogP ≤ 55.68
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-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63530771
2-(1-bromo-2-thiophen-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene
CID 55223700
2-(1-bromo-2-thiophen-3-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63542210
2-(1-bromo-2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene
CID 55224080
2-[1-bromo-2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63544677
2-[2-bromo-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]pyridine
CID 66454392
2-[2-bromo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]pyridine
CID 66454396
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63518430
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
2-[1-chloro-2-(3-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63543173
2-[2-bromo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]-5-methylpyridine
CID 66454224
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 63529237) is 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene is Brc1cccc(CC(Br)c2cc3c(s2)CCC3)c1.
What is the InChIKey of 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is WHLOBAKDRNPSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2S/c16-12-5-1-3-10(7-12)8-13(17)15-9-11-4-2-6-14(11)18-15/h1,3,5,7,9,13H,2,4,6,8H2.
What are the key properties of 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene?
2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 386.15 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(3-bromophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 63529237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).