1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene

C16H16BrFO2 — CID 81284508

IUPAC1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Br)c2ccc(F)c(OC)c2)c(C)c1
InChIInChI=1S/C16H16BrFO2/c1-10-8-12(19-2)5-6-13(10)16(17)11-4-7-14(18)15(9-11)20-3/h4-9,16H,1-3H3
InChIKeyVZLXORYJHHGRKU-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.64
Rot. Bonds4

About 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene

1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene (PubChem CID 81284508) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
PubChem CID81284508
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Br)c2ccc(F)c(OC)c2)c(C)c1
InChIInChI=1S/C16H16BrFO2/c1-10-8-12(19-2)5-6-13(10)16(17)11-4-7-14(18)15(9-11)20-3/h4-9,16H,1-3H3
InChIKeyVZLXORYJHHGRKU-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.64
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

1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
[(4-fluoro-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291538
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438789
1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443237
1-[bromo-(3,5-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438831
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443486
1-[bromo-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438702
4-[bromo-(3,4-difluorophenyl)methyl]-2-methoxy-1-methylbenzene
CID 63439681
4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
CID 81285176
5-[bromo-(2,5-dimethoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296664
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene (CID 81284508) is 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene is COc1ccc(C(Br)c2ccc(F)c(OC)c2)c(C)c1.
What is the InChIKey of 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
The InChIKey is VZLXORYJHHGRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-10-8-12(19-2)5-6-13(10)16(17)11-4-7-14(18)15(9-11)20-3/h4-9,16H,1-3H3.
What are the key properties of 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene has a molecular weight of 339.20 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 81284508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).