1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one

C13H10BrClO2 — CID 103481074

IUPAC1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2cccc(Cl)c2Br)o1
InChIInChI=1S/C13H10BrClO2/c1-8(16)7-9-5-6-12(17-9)10-3-2-4-11(15)13(10)14/h2-6H,7H2,1H3
InChIKeyLICVHBKJQINHOK-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.49
Rot. Bonds3

About 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one

1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one (PubChem CID 103481074) has the molecular formula C13H10BrClO2 and a molecular weight of 313.58 g/mol. Its IUPAC name is 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one
PubChem CID103481074
Molecular FormulaC13H10BrClO2
Molecular Weight313.58 g/mol
Exact Mass311.96
IUPAC Name1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2cccc(Cl)c2Br)o1
InChIInChI=1S/C13H10BrClO2/c1-8(16)7-9-5-6-12(17-9)10-3-2-4-11(15)13(10)14/h2-6H,7H2,1H3
InChIKeyLICVHBKJQINHOK-UHFFFAOYSA-N
XLogP4.49
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-one
CID 63098551
2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
CID 82119349
1-(2-bromo-3-chlorophenyl)propan-2-one
CID 83724712
1-[5-(4-bromo-2-methylphenyl)furan-2-yl]propan-2-one
CID 81288975
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]propan-2-one
CID 63098910
1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
CID 116785285
1-[5-(2-methyl-3-nitrophenyl)furan-2-yl]propan-2-one
CID 114003688
1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one
CID 63668636
1-(5-chlorofuran-2-yl)propan-2-one
CID 82652120
3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide
CID 91686842
1-(4-chloro-1-benzofuran-2-yl)propan-2-one
CID 117194376
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one?
The IUPAC name of 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one (CID 103481074) is 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one is CC(=O)Cc1ccc(-c2cccc(Cl)c2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one?
The InChIKey is LICVHBKJQINHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO2/c1-8(16)7-9-5-6-12(17-9)10-3-2-4-11(15)13(10)14/h2-6H,7H2,1H3.
What are the key properties of 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one?
1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one has a molecular weight of 313.58 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one is sourced from PubChem (CID 103481074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).