(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone

C18H15BrO2 — CID 102949361

IUPAC(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3cc(Br)ccc3c2C)c(C)c1
InChIInChI=1S/C18H15BrO2/c1-10-4-6-14(11(2)8-10)17(20)18-12(3)15-7-5-13(19)9-16(15)21-18/h4-9H,1-3H3
InChIKeyKIUDTWRKKLIULY-UHFFFAOYSA-N
MW343.22 g/mol
LogP5.35
Rot. Bonds2

About (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone

(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone (PubChem CID 102949361) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone
PubChem CID102949361
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3cc(Br)ccc3c2C)c(C)c1
InChIInChI=1S/C18H15BrO2/c1-10-4-6-14(11(2)8-10)17(20)18-12(3)15-7-5-13(19)9-16(15)21-18/h4-9H,1-3H3
InChIKeyKIUDTWRKKLIULY-UHFFFAOYSA-N
XLogP5.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.22
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102949397
(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 102949376
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43394206
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257
1-(3,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 63638930
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
[3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone
CID 59691982
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone?
The IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone (CID 102949361) is (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone?
The canonical SMILES for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2oc3cc(Br)ccc3c2C)c(C)c1.
What is the InChIKey of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone?
The InChIKey is KIUDTWRKKLIULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c1-10-4-6-14(11(2)8-10)17(20)18-12(3)15-7-5-13(19)9-16(15)21-18/h4-9H,1-3H3.
What are the key properties of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone?
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone has a molecular weight of 343.22 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 102949361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).