(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone

C16H10BrClO2 — CID 115808561

IUPAC(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H10BrClO2/c1-9-2-4-13(17)12(6-9)16(19)15-8-10-7-11(18)3-5-14(10)20-15/h2-8H,1H3
InChIKeyATXJCMLHIQICDX-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.39
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone

(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone (PubChem CID 115808561) has the molecular formula C16H10BrClO2 and a molecular weight of 349.61 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
PubChem CID115808561
Molecular FormulaC16H10BrClO2
Molecular Weight349.61 g/mol
Exact Mass347.96
IUPAC Name(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H10BrClO2/c1-9-2-4-13(17)12(6-9)16(19)15-8-10-7-11(18)3-5-14(10)20-15/h2-8H,1H3
InChIKeyATXJCMLHIQICDX-UHFFFAOYSA-N
XLogP5.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808186
(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 25481768
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114736998
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754789

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone (CID 115808561) is (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone is Cc1ccc(Br)c(C(=O)c2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is ATXJCMLHIQICDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClO2/c1-9-2-4-13(17)12(6-9)16(19)15-8-10-7-11(18)3-5-14(10)20-15/h2-8H,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone?
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone has a molecular weight of 349.61 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115808561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).