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

C16H10BrClO2 — CID 60706471

IUPAC(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2cccc(Br)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H10BrClO2/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
InChIKeyXPQRTIHEMRBIQE-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.39
Rot. Bonds2

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

(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 60706471) has the molecular formula C16H10BrClO2 and a molecular weight of 349.61 g/mol. Its IUPAC name is (3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID60706471
Molecular FormulaC16H10BrClO2
Molecular Weight349.61 g/mol
Exact Mass347.96
IUPAC Name(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2cccc(Br)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H10BrClO2/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
InChIKeyXPQRTIHEMRBIQE-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

(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
CID 28880631
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 63549321
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305
4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)benzonitrile
CID 60711298
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606800
(3-bromo-4-fluorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 63545779
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
propyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 112724856
(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 102949376
ethyl (2S)-2-(2-benzoyl-5-chloro-1-benzofuran-3-yl)propanoate
CID 122484797

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone (CID 60706471) is (3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2cccc(Br)c2)oc2ccc(Cl)cc12.
What is the InChIKey of (3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is XPQRTIHEMRBIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClO2/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 (3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone?
(3-bromophenyl)-(5-chloro-3-methyl-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 (3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 60706471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).