1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone

C13H11BrO2 — CID 106854616

IUPAC1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H11BrO2/c1-9-3-2-4-10(7-9)8-12(15)11-5-6-16-13(11)14/h2-7H,8H2,1H3
InChIKeyLTKNIWFQQNUFAW-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.78
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone

1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone (PubChem CID 106854616) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone
PubChem CID106854616
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H11BrO2/c1-9-3-2-4-10(7-9)8-12(15)11-5-6-16-13(11)14/h2-7H,8H2,1H3
InChIKeyLTKNIWFQQNUFAW-UHFFFAOYSA-N
XLogP3.78
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
1-(2-bromofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106854606
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
CID 105079378
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
(2-bromofuran-3-yl)-(3-ethylphenyl)methanone
CID 106856734
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone (CID 106854616) is 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2ccoc2Br)c1.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is LTKNIWFQQNUFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c1-9-3-2-4-10(7-9)8-12(15)11-5-6-16-13(11)14/h2-7H,8H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone?
1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 279.13 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 106854616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).