3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran

C15H16BrFO2 — CID 65152045

IUPAC3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran
SMILESCOc1ccc(C(Br)c2c(C)oc(C)c2C)c(F)c1
InChIInChI=1S/C15H16BrFO2/c1-8-9(2)19-10(3)14(8)15(16)12-6-5-11(18-4)7-13(12)17/h5-7,15H,1-4H3
InChIKeyJUDALYOGMRECOX-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.84
Rot. Bonds3

About 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran

3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran (PubChem CID 65152045) has the molecular formula C15H16BrFO2 and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran.

Molecular Properties

Compound Name3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran
PubChem CID65152045
Molecular FormulaC15H16BrFO2
Molecular Weight327.19 g/mol
Exact Mass326.03
IUPAC Name3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran
SMILESCOc1ccc(C(Br)c2c(C)oc(C)c2C)c(F)c1
InChIInChI=1S/C15H16BrFO2/c1-8-9(2)19-10(3)14(8)15(16)12-6-5-11(18-4)7-13(12)17/h5-7,15H,1-4H3
InChIKeyJUDALYOGMRECOX-UHFFFAOYSA-N
XLogP4.84
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[bromo-(2,4,5-trifluorophenyl)methyl]-2,4,5-trimethylfuran
CID 103304126
5-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238352
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 81324965
1-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-chloro-2,5-dimethylbenzene
CID 102884625
2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylthiophene
CID 102884679
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408
1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443159
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 102884337
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-bromo-2-[bromo-(4-methoxy-2-methylphenyl)methyl]-3-fluorobenzene
CID 114560622
1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443200

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran?
The IUPAC name of 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran (CID 65152045) is 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran.
What is the SMILES notation for 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran?
The canonical SMILES for 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran is COc1ccc(C(Br)c2c(C)oc(C)c2C)c(F)c1.
What is the InChIKey of 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran?
The InChIKey is JUDALYOGMRECOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFO2/c1-8-9(2)19-10(3)14(8)15(16)12-6-5-11(18-4)7-13(12)17/h5-7,15H,1-4H3.
What are the key properties of 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran?
3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran has a molecular weight of 327.19 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran is sourced from PubChem (CID 65152045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).