2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone

C12H8BrClO2 — CID 106687687

IUPAC2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H8BrClO2/c13-9-3-1-2-8(6-9)7-10(15)11-4-5-12(14)16-11/h1-6H,7H2
InChIKeyRPIHQOQAPJPTCW-UHFFFAOYSA-N
MW299.55 g/mol
LogP4.12
Rot. Bonds3

About 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone

2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone (PubChem CID 106687687) has the molecular formula C12H8BrClO2 and a molecular weight of 299.55 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
PubChem CID106687687
Molecular FormulaC12H8BrClO2
Molecular Weight299.55 g/mol
Exact Mass297.94
IUPAC Name2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H8BrClO2/c13-9-3-1-2-8(6-9)7-10(15)11-4-5-12(14)16-11/h1-6H,7H2
InChIKeyRPIHQOQAPJPTCW-UHFFFAOYSA-N
XLogP4.12
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 106687701
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone
CID 106687651
2-(3-bromophenyl)acetate
CID 3608673
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
bromo 2-(3-bromophenyl)acetate
CID 174910278
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
CID 63941449
2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
CID 81323258
2-(3-bromophenyl)acetamide
CID 11736027
iodo 2-(3-bromophenyl)acetate
CID 155449676
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone (CID 106687687) is 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone is O=C(Cc1cccc(Br)c1)c1ccc(Cl)o1.
What is the InChIKey of 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone?
The InChIKey is RPIHQOQAPJPTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO2/c13-9-3-1-2-8(6-9)7-10(15)11-4-5-12(14)16-11/h1-6H,7H2.
What are the key properties of 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone?
2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone has a molecular weight of 299.55 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone is sourced from PubChem (CID 106687687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).