3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene

C15H14Br2S — CID 65283245

IUPAC3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene
SMILESCc1cc(Br)c(C(Br)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C15H14Br2S/c1-10-9-12(16)13(18-10)14(17)15(7-8-15)11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3
InChIKeyOGMTXLLBBQRMIS-UHFFFAOYSA-N
MW386.15 g/mol
LogP5.99
Rot. Bonds3

About 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene

3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene (PubChem CID 65283245) has the molecular formula C15H14Br2S and a molecular weight of 386.15 g/mol. Its IUPAC name is 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene
PubChem CID65283245
Molecular FormulaC15H14Br2S
Molecular Weight386.15 g/mol
Exact Mass383.92
IUPAC Name3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene
SMILESCc1cc(Br)c(C(Br)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C15H14Br2S/c1-10-9-12(16)13(18-10)14(17)15(7-8-15)11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3
InChIKeyOGMTXLLBBQRMIS-UHFFFAOYSA-N
XLogP5.99
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 ≤ 55.99
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-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene
CID 79742516
1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
CID 65278587
3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65278669
3-bromo-2-[bromo-(3-bromophenyl)methyl]-5-methylthiophene
CID 65278245
4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
CID 79746419
1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 55129402
3-bromo-2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-5-methylthiophene
CID 65278876
3-bromo-2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983579
1-bromo-5-[bromo-(1-phenylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396581
(4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol
CID 80535588
1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 65279659
4-[bromo-(1-phenylcyclopropyl)methyl]-1,2-difluorobenzene
CID 63439725

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene?
The IUPAC name of 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene (CID 65283245) is 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene.
What is the SMILES notation for 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene?
The canonical SMILES for 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene is Cc1cc(Br)c(C(Br)C2(c3ccccc3)CC2)s1.
What is the InChIKey of 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene?
The InChIKey is OGMTXLLBBQRMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2S/c1-10-9-12(16)13(18-10)14(17)15(7-8-15)11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3.
What are the key properties of 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene?
3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene has a molecular weight of 386.15 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene is sourced from PubChem (CID 65283245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).