3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran

C14H10BrIO — CID 154712439

IUPAC3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran
SMILESBrC1=C(I)COC1c1ccc2ccccc2c1
InChIInChI=1S/C14H10BrIO/c15-13-12(16)8-17-14(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,14H,8H2
InChIKeyODGPVYCVAIONDA-UHFFFAOYSA-N
MW401.04 g/mol
LogP4.95
Rot. Bonds1

About 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran

3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran (PubChem CID 154712439) has the molecular formula C14H10BrIO and a molecular weight of 401.04 g/mol. Its IUPAC name is 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran
PubChem CID154712439
Molecular FormulaC14H10BrIO
Molecular Weight401.04 g/mol
Exact Mass399.90
IUPAC Name3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran
SMILESBrC1=C(I)COC1c1ccc2ccccc2c1
InChIInChI=1S/C14H10BrIO/c15-13-12(16)8-17-14(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,14H,8H2
InChIKeyODGPVYCVAIONDA-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.04
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran?
The IUPAC name of 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran (CID 154712439) is 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran?
The canonical SMILES for 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran is BrC1=C(I)COC1c1ccc2ccccc2c1.
What is the InChIKey of 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran?
The InChIKey is ODGPVYCVAIONDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIO/c15-13-12(16)8-17-14(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,14H,8H2.
What are the key properties of 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran?
3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran has a molecular weight of 401.04 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-iodo-2-naphthalen-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 154712439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).