2-bromo-5-(4-ethylphenyl)-1-benzofuran

C16H13BrO — CID 151089917

IUPAC2-bromo-5-(4-ethylphenyl)-1-benzofuran
SMILESCCc1ccc(-c2ccc3oc(Br)cc3c2)cc1
InChIInChI=1S/C16H13BrO/c1-2-11-3-5-12(6-4-11)13-7-8-15-14(9-13)10-16(17)18-15/h3-10H,2H2,1H3
InChIKeyMLXFTJDFNMNKTL-UHFFFAOYSA-N
MW301.18 g/mol
LogP5.42
Rot. Bonds2

About 2-bromo-5-(4-ethylphenyl)-1-benzofuran

2-bromo-5-(4-ethylphenyl)-1-benzofuran (PubChem CID 151089917) has the molecular formula C16H13BrO and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-bromo-5-(4-ethylphenyl)-1-benzofuran.

Molecular Properties

Compound Name2-bromo-5-(4-ethylphenyl)-1-benzofuran
PubChem CID151089917
Molecular FormulaC16H13BrO
Molecular Weight301.18 g/mol
Exact Mass300.01
IUPAC Name2-bromo-5-(4-ethylphenyl)-1-benzofuran
SMILESCCc1ccc(-c2ccc3oc(Br)cc3c2)cc1
InChIInChI=1S/C16H13BrO/c1-2-11-3-5-12(6-4-11)13-7-8-15-14(9-13)10-16(17)18-15/h3-10H,2H2,1H3
InChIKeyMLXFTJDFNMNKTL-UHFFFAOYSA-N
XLogP5.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.18
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-ethylphenyl)-1-benzofuran?
The IUPAC name of 2-bromo-5-(4-ethylphenyl)-1-benzofuran (CID 151089917) is 2-bromo-5-(4-ethylphenyl)-1-benzofuran.
What is the SMILES notation for 2-bromo-5-(4-ethylphenyl)-1-benzofuran?
The canonical SMILES for 2-bromo-5-(4-ethylphenyl)-1-benzofuran is CCc1ccc(-c2ccc3oc(Br)cc3c2)cc1.
What is the InChIKey of 2-bromo-5-(4-ethylphenyl)-1-benzofuran?
The InChIKey is MLXFTJDFNMNKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO/c1-2-11-3-5-12(6-4-11)13-7-8-15-14(9-13)10-16(17)18-15/h3-10H,2H2,1H3.
What are the key properties of 2-bromo-5-(4-ethylphenyl)-1-benzofuran?
2-bromo-5-(4-ethylphenyl)-1-benzofuran has a molecular weight of 301.18 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-ethylphenyl)-1-benzofuran is sourced from PubChem (CID 151089917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).