5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran

C15H15BrO2 — CID 79084281

IUPAC5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccc(C(Br)c2ccc3c(c2)CCO3)o1
InChIInChI=1S/C15H15BrO2/c1-2-12-4-6-14(18-12)15(16)11-3-5-13-10(9-11)7-8-17-13/h3-6,9,15H,2,7-8H2,1H3
InChIKeyXILAKOHQRJTNTR-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.26
Rot. Bonds3

About 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran

5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 79084281) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID79084281
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccc(C(Br)c2ccc3c(c2)CCO3)o1
InChIInChI=1S/C15H15BrO2/c1-2-12-4-6-14(18-12)15(16)11-3-5-13-10(9-11)7-8-17-13/h3-6,9,15H,2,7-8H2,1H3
InChIKeyXILAKOHQRJTNTR-UHFFFAOYSA-N
XLogP4.26
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[chloro-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79084634
[2,3-dihydro-1-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105333898
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-ethylfuran-2-yl)propyl]hydrazine
CID 105310456
5-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104661813
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097281
5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442832
6-[chloro-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 79083570
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
5-[bromo-(2-bromo-5-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81112440
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81284360

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran (CID 79084281) is 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran is CCc1ccc(C(Br)c2ccc3c(c2)CCO3)o1.
What is the InChIKey of 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is XILAKOHQRJTNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-2-12-4-6-14(18-12)15(16)11-3-5-13-10(9-11)7-8-17-13/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran?
5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 307.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79084281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).