[5-(4-bromophenyl)furan-2-yl]methanol

C11H9BrO2 — CID 718650

IUPAC[5-(4-bromophenyl)furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H9BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2
InChIKeyQUJXBDJGUNCYHC-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.20
Rot. Bonds2

About [5-(4-bromophenyl)furan-2-yl]methanol

[5-(4-bromophenyl)furan-2-yl]methanol (PubChem CID 718650) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is [5-(4-bromophenyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromophenyl)furan-2-yl]methanol
PubChem CID718650
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name[5-(4-bromophenyl)furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H9BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2
InChIKeyQUJXBDJGUNCYHC-UHFFFAOYSA-N
XLogP3.20
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)furan-2-yl]methanol?
The IUPAC name of [5-(4-bromophenyl)furan-2-yl]methanol (CID 718650) is [5-(4-bromophenyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(4-bromophenyl)furan-2-yl]methanol?
The canonical SMILES for [5-(4-bromophenyl)furan-2-yl]methanol is OCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of [5-(4-bromophenyl)furan-2-yl]methanol?
The InChIKey is QUJXBDJGUNCYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2.
What are the key properties of [5-(4-bromophenyl)furan-2-yl]methanol?
[5-(4-bromophenyl)furan-2-yl]methanol has a molecular weight of 253.09 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)furan-2-yl]methanol is sourced from PubChem (CID 718650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).