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

C18H15BrO2 — CID 28880635

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2oc3ccc(Br)cc3c2C)c1
InChIInChI=1S/C18H15BrO2/c1-10-4-5-11(2)14(8-10)17(20)18-12(3)15-9-13(19)6-7-16(15)21-18/h4-9H,1-3H3
InChIKeyXNSMQWPBXDTISB-UHFFFAOYSA-N
MW343.22 g/mol
LogP5.35
Rot. Bonds2

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

(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 28880635) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
PubChem CID28880635
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2oc3ccc(Br)cc3c2C)c1
InChIInChI=1S/C18H15BrO2/c1-10-4-5-11(2)14(8-10)17(20)18-12(3)15-9-13(19)6-7-16(15)21-18/h4-9H,1-3H3
InChIKeyXNSMQWPBXDTISB-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

(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43394206
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone
CID 102949361
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 113437676
(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-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 107355103
(5-bromo-3-methyl-1-benzofuran-2-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403347
5-bromo-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 5218270
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
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone (CID 28880635) is (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2oc3ccc(Br)cc3c2C)c1.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is XNSMQWPBXDTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c1-10-4-5-11(2)14(8-10)17(20)18-12(3)15-9-13(19)6-7-16(15)21-18/h4-9H,1-3H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone?
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-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 (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 28880635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).