2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan

C16H12Br2O — CID 106856014

IUPAC2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan
SMILESBrc1occc1C(Br)Cc1cccc2ccccc12
InChIInChI=1S/C16H12Br2O/c17-15(14-8-9-19-16(14)18)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,15H,10H2
InChIKeyMNXBMVNWGWQUMN-UHFFFAOYSA-N
MW380.08 g/mol
LogP5.87
Rot. Bonds3

About 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan

2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan (PubChem CID 106856014) has the molecular formula C16H12Br2O and a molecular weight of 380.08 g/mol. Its IUPAC name is 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan.

Molecular Properties

Compound Name2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan
PubChem CID106856014
Molecular FormulaC16H12Br2O
Molecular Weight380.08 g/mol
Exact Mass377.93
IUPAC Name2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan
SMILESBrc1occc1C(Br)Cc1cccc2ccccc12
InChIInChI=1S/C16H12Br2O/c17-15(14-8-9-19-16(14)18)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,15H,10H2
InChIKeyMNXBMVNWGWQUMN-UHFFFAOYSA-N
XLogP5.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.08
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan?
The IUPAC name of 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan (CID 106856014) is 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan.
What is the SMILES notation for 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan?
The canonical SMILES for 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan is Brc1occc1C(Br)Cc1cccc2ccccc12.
What is the InChIKey of 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan?
The InChIKey is MNXBMVNWGWQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2O/c17-15(14-8-9-19-16(14)18)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,15H,10H2.
What are the key properties of 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan?
2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan has a molecular weight of 380.08 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan is sourced from PubChem (CID 106856014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).