2-bromo-5-(1-bromo-2-phenylethyl)furan

C12H10Br2O — CID 63018566

IUPAC2-bromo-5-(1-bromo-2-phenylethyl)furan
SMILESBrc1ccc(C(Br)Cc2ccccc2)o1
InChIInChI=1S/C12H10Br2O/c13-10(11-6-7-12(14)15-11)8-9-4-2-1-3-5-9/h1-7,10H,8H2
InChIKeyCRAXTCSCEUBUBK-UHFFFAOYSA-N
MW330.02 g/mol
LogP4.72
Rot. Bonds3

About 2-bromo-5-(1-bromo-2-phenylethyl)furan

2-bromo-5-(1-bromo-2-phenylethyl)furan (PubChem CID 63018566) has the molecular formula C12H10Br2O and a molecular weight of 330.02 g/mol. Its IUPAC name is 2-bromo-5-(1-bromo-2-phenylethyl)furan.

Molecular Properties

Compound Name2-bromo-5-(1-bromo-2-phenylethyl)furan
PubChem CID63018566
Molecular FormulaC12H10Br2O
Molecular Weight330.02 g/mol
Exact Mass327.91
IUPAC Name2-bromo-5-(1-bromo-2-phenylethyl)furan
SMILESBrc1ccc(C(Br)Cc2ccccc2)o1
InChIInChI=1S/C12H10Br2O/c13-10(11-6-7-12(14)15-11)8-9-4-2-1-3-5-9/h1-7,10H,8H2
InChIKeyCRAXTCSCEUBUBK-UHFFFAOYSA-N
XLogP4.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.02
LogP ≤ 54.72
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-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 63530053
2-bromo-5-[1-bromo-2-(4-nitrophenyl)ethyl]furan
CID 63017990
2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan
CID 63530606
2-[1-bromo-2-(4-bromophenyl)ethyl]-5-chlorofuran
CID 106689779
1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 115793920
2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan
CID 63435879
1-(1-bromo-2-phenylethyl)-2-methylsulfanylbenzene
CID 79206101
(1R)-1-bromo-2-phenylethanamine
CID 164702405
N-benzyl-1-(5-bromofuran-2-yl)but-3-en-1-amine
CID 3113916
benzyl-[(1S)-1-(5-bromofuran-2-yl)but-3-enyl]azanium
CID 7375028
1-(1-bromo-2-phenylethyl)-2-iodobenzene
CID 63529217
1-(1-bromo-2-phenylethyl)-2-methylbenzene
CID 63529712

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-bromo-2-phenylethyl)furan?
The IUPAC name of 2-bromo-5-(1-bromo-2-phenylethyl)furan (CID 63018566) is 2-bromo-5-(1-bromo-2-phenylethyl)furan.
What is the SMILES notation for 2-bromo-5-(1-bromo-2-phenylethyl)furan?
The canonical SMILES for 2-bromo-5-(1-bromo-2-phenylethyl)furan is Brc1ccc(C(Br)Cc2ccccc2)o1.
What is the InChIKey of 2-bromo-5-(1-bromo-2-phenylethyl)furan?
The InChIKey is CRAXTCSCEUBUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O/c13-10(11-6-7-12(14)15-11)8-9-4-2-1-3-5-9/h1-7,10H,8H2.
What are the key properties of 2-bromo-5-(1-bromo-2-phenylethyl)furan?
2-bromo-5-(1-bromo-2-phenylethyl)furan has a molecular weight of 330.02 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-bromo-2-phenylethyl)furan is sourced from PubChem (CID 63018566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).