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

C14H8Br2O3 — CID 113437676

IUPAC(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(Br)o2)oc2ccc(Br)cc12
InChIInChI=1S/C14H8Br2O3/c1-7-9-6-8(15)2-3-10(9)19-14(7)13(17)11-4-5-12(16)18-11/h2-6H,1H3
InChIKeyLIOYTLXADRVOPF-UHFFFAOYSA-N
MW384.02 g/mol
LogP5.09
Rot. Bonds2

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

(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 113437676) has the molecular formula C14H8Br2O3 and a molecular weight of 384.02 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID113437676
Molecular FormulaC14H8Br2O3
Molecular Weight384.02 g/mol
Exact Mass381.88
IUPAC Name(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(Br)o2)oc2ccc(Br)cc12
InChIInChI=1S/C14H8Br2O3/c1-7-9-6-8(15)2-3-10(9)19-14(7)13(17)11-4-5-12(16)18-11/h2-6H,1H3
InChIKeyLIOYTLXADRVOPF-UHFFFAOYSA-N
XLogP5.09
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.02
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
CID 28880631
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606800
(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-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305
(5-bromo-3-methyl-1-benzofuran-2-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403347
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 107847340
N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
butyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 78915211
tert-butyl 4-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 46513566

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone (CID 113437676) is (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2ccc(Br)o2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is LIOYTLXADRVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2O3/c1-7-9-6-8(15)2-3-10(9)19-14(7)13(17)11-4-5-12(16)18-11/h2-6H,1H3.
What are the key properties of (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone?
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 384.02 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 113437676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).