2-(2-bromo-4-propan-2-ylphenyl)furan

C13H13BrO — CID 168524611

IUPAC2-(2-bromo-4-propan-2-ylphenyl)furan
SMILESCC(C)c1ccc(-c2ccco2)c(Br)c1
InChIInChI=1S/C13H13BrO/c1-9(2)10-5-6-11(12(14)8-10)13-4-3-7-15-13/h3-9H,1-2H3
InChIKeyBSNBJHICKDNSNC-UHFFFAOYSA-N
MW265.15 g/mol
LogP4.83
Rot. Bonds2

About 2-(2-bromo-4-propan-2-ylphenyl)furan

2-(2-bromo-4-propan-2-ylphenyl)furan (PubChem CID 168524611) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenyl)furan.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenyl)furan
PubChem CID168524611
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name2-(2-bromo-4-propan-2-ylphenyl)furan
SMILESCC(C)c1ccc(-c2ccco2)c(Br)c1
InChIInChI=1S/C13H13BrO/c1-9(2)10-5-6-11(12(14)8-10)13-4-3-7-15-13/h3-9H,1-2H3
InChIKeyBSNBJHICKDNSNC-UHFFFAOYSA-N
XLogP4.83
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenyl)furan?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenyl)furan (CID 168524611) is 2-(2-bromo-4-propan-2-ylphenyl)furan.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenyl)furan?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenyl)furan is CC(C)c1ccc(-c2ccco2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenyl)furan?
The InChIKey is BSNBJHICKDNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO/c1-9(2)10-5-6-11(12(14)8-10)13-4-3-7-15-13/h3-9H,1-2H3.
What are the key properties of 2-(2-bromo-4-propan-2-ylphenyl)furan?
2-(2-bromo-4-propan-2-ylphenyl)furan has a molecular weight of 265.15 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenyl)furan is sourced from PubChem (CID 168524611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).