7-bromo-5-ethyl-1-benzofuran

C10H9BrO — CID 84689558

IUPAC7-bromo-5-ethyl-1-benzofuran
SMILESCCc1cc(Br)c2occc2c1
InChIInChI=1S/C10H9BrO/c1-2-7-5-8-3-4-12-10(8)9(11)6-7/h3-6H,2H2,1H3
InChIKeyCNTIDWPAMSKVFS-UHFFFAOYSA-N
MW225.08 g/mol
LogP3.76
Rot. Bonds1

About 7-bromo-5-ethyl-1-benzofuran

7-bromo-5-ethyl-1-benzofuran (PubChem CID 84689558) has the molecular formula C10H9BrO and a molecular weight of 225.08 g/mol. Its IUPAC name is 7-bromo-5-ethyl-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-ethyl-1-benzofuran
PubChem CID84689558
Molecular FormulaC10H9BrO
Molecular Weight225.08 g/mol
Exact Mass223.98
IUPAC Name7-bromo-5-ethyl-1-benzofuran
SMILESCCc1cc(Br)c2occc2c1
InChIInChI=1S/C10H9BrO/c1-2-7-5-8-3-4-12-10(8)9(11)6-7/h3-6H,2H2,1H3
InChIKeyCNTIDWPAMSKVFS-UHFFFAOYSA-N
XLogP3.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 153350524
CID 153350524
7-bromo-5-(trifluoromethyl)-1-benzofuran
CID 22144871
(7-bromo-1-benzofuran-5-yl)carbamic acid
CID 139560233
ethyl 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-3,4-dimethylphenyl]acetate
CID 139560173
ethyl 2-[4-[(7-bromo-1-benzofuran-5-yl)methoxy]-1-benzofuran-5-yl]acetate
CID 139560672
7-bromo-5-nitro-1-benzofuran
CID 22144877
2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid
CID 175256545
7-bromo-1-benzofuran-5-carboxamide;methyl 7-bromo-1-benzofuran-5-carboxylate
CID 159868625
7-ethyl-1-benzofuran-5-carboxylic acid
CID 83817922
2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde
CID 139560643
(7-methyl-1-benzofuran-5-yl)methanamine
CID 142950179
ethyl 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-3-methylphenyl]acetate;hexane
CID 139561372

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-ethyl-1-benzofuran?
The IUPAC name of 7-bromo-5-ethyl-1-benzofuran (CID 84689558) is 7-bromo-5-ethyl-1-benzofuran.
What is the SMILES notation for 7-bromo-5-ethyl-1-benzofuran?
The canonical SMILES for 7-bromo-5-ethyl-1-benzofuran is CCc1cc(Br)c2occc2c1.
What is the InChIKey of 7-bromo-5-ethyl-1-benzofuran?
The InChIKey is CNTIDWPAMSKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO/c1-2-7-5-8-3-4-12-10(8)9(11)6-7/h3-6H,2H2,1H3.
What are the key properties of 7-bromo-5-ethyl-1-benzofuran?
7-bromo-5-ethyl-1-benzofuran has a molecular weight of 225.08 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-ethyl-1-benzofuran is sourced from PubChem (CID 84689558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).