(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone

C16H10Br2O2 — CID 28880631

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
SMILESCc1c(C(=O)c2cccc(Br)c2)oc2ccc(Br)cc12
InChIInChI=1S/C16H10Br2O2/c1-9-13-8-12(18)5-6-14(13)20-16(9)15(19)10-3-2-4-11(17)7-10/h2-8H,1H3
InChIKeyYFEOKJXKHKVCDK-UHFFFAOYSA-N
MW394.06 g/mol
LogP5.50
Rot. Bonds2

About (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone

(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone (PubChem CID 28880631) has the molecular formula C16H10Br2O2 and a molecular weight of 394.06 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
PubChem CID28880631
Molecular FormulaC16H10Br2O2
Molecular Weight394.06 g/mol
Exact Mass391.90
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
SMILESCc1c(C(=O)c2cccc(Br)c2)oc2ccc(Br)cc12
InChIInChI=1S/C16H10Br2O2/c1-9-13-8-12(18)5-6-14(13)20-16(9)15(19)10-3-2-4-11(17)7-10/h2-8H,1H3
InChIKeyYFEOKJXKHKVCDK-UHFFFAOYSA-N
XLogP5.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.06
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 60706471
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606800
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 113437676
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran
CID 143831070
5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide
CID 18190752
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
(5-bromo-3-methyl-1-benzofuran-2-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403347
butyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 78915211
2-ethoxyethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 55354978

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone (CID 28880631) is (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone is Cc1c(C(=O)c2cccc(Br)c2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone?
The InChIKey is YFEOKJXKHKVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2O2/c1-9-13-8-12(18)5-6-14(13)20-16(9)15(19)10-3-2-4-11(17)7-10/h2-8H,1H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone?
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone has a molecular weight of 394.06 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone is sourced from PubChem (CID 28880631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).