(5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone

C16H17BrO3 — CID 65438948

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C16H17BrO3/c1-8-6-14(19-5)12(7-13(8)17)16(18)15-9(2)10(3)20-11(15)4/h6-7H,1-5H3
InChIKeyADVLAXLAAMNHKZ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.52
Rot. Bonds3

About (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone

(5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 65438948) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID65438948
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C16H17BrO3/c1-8-6-14(19-5)12(7-13(8)17)16(18)15-9(2)10(3)20-11(15)4/h6-7H,1-5H3
InChIKeyADVLAXLAAMNHKZ-UHFFFAOYSA-N
XLogP4.52
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)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

(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79981857
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 65438555
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
(4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65152704
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
2-bromo-1-(5-bromo-2-methoxy-4-methylphenyl)butan-1-one
CID 65439724
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one
CID 65439340
1-(5-bromo-2-methoxy-4-methylphenyl)-2-cyclohexylethanone
CID 65439529

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 65438948) is (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone is COc1cc(C)c(Br)cc1C(=O)c1c(C)oc(C)c1C.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is ADVLAXLAAMNHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-8-6-14(19-5)12(7-13(8)17)16(18)15-9(2)10(3)20-11(15)4/h6-7H,1-5H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
(5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 337.21 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 65438948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).