(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone

C13H11BrO3 — CID 114973441

IUPAC(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1occc1Br
InChIInChI=1S/C13H11BrO3/c1-8-3-4-11(16-2)9(7-8)12(15)13-10(14)5-6-17-13/h3-7H,1-2H3
InChIKeyZXAZEWRJOGJFSA-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.59
Rot. Bonds3

About (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone

(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 114973441) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID114973441
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Name(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1occc1Br
InChIInChI=1S/C13H11BrO3/c1-8-3-4-11(16-2)9(7-8)12(15)13-10(14)5-6-17-13/h3-7H,1-2H3
InChIKeyZXAZEWRJOGJFSA-UHFFFAOYSA-N
XLogP3.59
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone 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

(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
CID 63942621
(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463104
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 81304337
(3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 105101644
(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463358
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
2-bromo-1-(2-methoxy-5-methylphenyl)ethanone;methanamine;methane;methanedithione
CID 160540811
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone (CID 114973441) is (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is ZXAZEWRJOGJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c1-8-3-4-11(16-2)9(7-8)12(15)13-10(14)5-6-17-13/h3-7H,1-2H3.
What are the key properties of (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 295.13 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 114973441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).