2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene

C15H14BrFO — CID 63443769

IUPAC2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(Br)c1ccccc1F
InChIInChI=1S/C15H14BrFO/c1-10-7-8-14(18-2)12(9-10)15(16)11-5-3-4-6-13(11)17/h3-9,15H,1-2H3
InChIKeyPGGCMLHUQOSVMF-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.63
Rot. Bonds3

About 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene

2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene (PubChem CID 63443769) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene
PubChem CID63443769
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(Br)c1ccccc1F
InChIInChI=1S/C15H14BrFO/c1-10-7-8-14(18-2)12(9-10)15(16)11-5-3-4-6-13(11)17/h3-9,15H,1-2H3
InChIKeyPGGCMLHUQOSVMF-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.63
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

5-[bromo-(2-methoxy-5-methylphenyl)methyl]-1,2,3-trifluorobenzene
CID 63443341
1-bromo-4-[bromo-(2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057401
1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396584
1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63444828
1-bromo-4-[bromo-(2-methoxy-5-methylphenyl)methyl]-2-fluorobenzene
CID 63443676
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
1-[bromo-(2,5-dimethylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447999
2-(1-bromo-2,2-difluoroethyl)-1-methoxy-4-methylbenzene
CID 103514543
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461531

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene (CID 63443769) is 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene is COc1ccc(C)cc1C(Br)c1ccccc1F.
What is the InChIKey of 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene?
The InChIKey is PGGCMLHUQOSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-10-7-8-14(18-2)12(9-10)15(16)11-5-3-4-6-13(11)17/h3-9,15H,1-2H3.
What are the key properties of 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene?
2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene has a molecular weight of 309.18 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 63443769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).