2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene

C15H13BrF2O — CID 55199736

IUPAC2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Br)c1ccc(C)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-9-3-4-10(7-13(9)18)15(16)12-8-11(17)5-6-14(12)19-2/h3-8,15H,1-2H3
InChIKeyASVXLJALXNYZNJ-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.77
Rot. Bonds3

About 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene

2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene (PubChem CID 55199736) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
PubChem CID55199736
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Br)c1ccc(C)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-9-3-4-10(7-13(9)18)15(16)12-8-11(17)5-6-14(12)19-2/h3-8,15H,1-2H3
InChIKeyASVXLJALXNYZNJ-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441261
5-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63186895
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083
5-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63441578
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 63438875
1-bromo-4-[bromo-(2-methoxy-5-methylphenyl)methyl]-2-fluorobenzene
CID 63443676
2-[bromo-(4-methylsulfonylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61098756
3-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-4-methylthiophene
CID 79807936
2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
CID 104546555
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
5-[bromo-(2-methoxy-5-methylphenyl)methyl]-1,2,3-trifluorobenzene
CID 63443341
4-[bromo-(3,4-difluorophenyl)methyl]-2-methoxy-1-methylbenzene
CID 63439681

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene (CID 55199736) is 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1C(Br)c1ccc(C)c(F)c1.
What is the InChIKey of 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene?
The InChIKey is ASVXLJALXNYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-9-3-4-10(7-13(9)18)15(16)12-8-11(17)5-6-14(12)19-2/h3-8,15H,1-2H3.
What are the key properties of 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene?
2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene has a molecular weight of 327.17 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 55199736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).