2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol

C15H11BrO2 — CID 21022043

IUPAC2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol
SMILESCc1ccc(-c2cc3cc(O)ccc3o2)c(Br)c1
InChIInChI=1S/C15H11BrO2/c1-9-2-4-12(13(16)6-9)15-8-10-7-11(17)3-5-14(10)18-15/h2-8,17H,1H3
InChIKeyYJSLNAXOAXVCDQ-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.88
Rot. Bonds1

About 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol

2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol (PubChem CID 21022043) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol
PubChem CID21022043
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol
SMILESCc1ccc(-c2cc3cc(O)ccc3o2)c(Br)c1
InChIInChI=1S/C15H11BrO2/c1-9-2-4-12(13(16)6-9)15-8-10-7-11(17)3-5-14(10)18-15/h2-8,17H,1H3
InChIKeyYJSLNAXOAXVCDQ-UHFFFAOYSA-N
XLogP4.88
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol?
The IUPAC name of 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol (CID 21022043) is 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol is Cc1ccc(-c2cc3cc(O)ccc3o2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol?
The InChIKey is YJSLNAXOAXVCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c1-9-2-4-12(13(16)6-9)15-8-10-7-11(17)3-5-14(10)18-15/h2-8,17H,1H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol?
2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol has a molecular weight of 303.16 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol is sourced from PubChem (CID 21022043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).