2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene

C15H13Br2FO2 — CID 65433099

IUPAC2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2c(F)cccc2OC)c(Br)c1
InChIInChI=1S/C15H13Br2FO2/c1-19-9-6-7-10(11(16)8-9)15(17)14-12(18)4-3-5-13(14)20-2/h3-8,15H,1-2H3
InChIKeyMFABCKHHWYXNRS-UHFFFAOYSA-N
MW404.07 g/mol
LogP5.09
Rot. Bonds4

About 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene

2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene (PubChem CID 65433099) has the molecular formula C15H13Br2FO2 and a molecular weight of 404.07 g/mol. Its IUPAC name is 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene
PubChem CID65433099
Molecular FormulaC15H13Br2FO2
Molecular Weight404.07 g/mol
Exact Mass401.93
IUPAC Name2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2c(F)cccc2OC)c(Br)c1
InChIInChI=1S/C15H13Br2FO2/c1-19-9-6-7-10(11(16)8-9)15(17)14-12(18)4-3-5-13(14)20-2/h3-8,15H,1-2H3
InChIKeyMFABCKHHWYXNRS-UHFFFAOYSA-N
XLogP5.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.07
LogP ≤ 55.09
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-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene
CID 65434254
1-bromo-2-[bromo-(4-methoxy-2-methylphenyl)methyl]-3-fluorobenzene
CID 114560622
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
1-bromo-2-[bromo-(2-bromo-4-ethoxyphenyl)methyl]-3-fluorobenzene
CID 114560713
2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
CID 63434919
(2-fluoro-6-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65433478
2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432324
(2,5-dimethoxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 65433281
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
CID 104707954
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424
2-[bromo-(4-propan-2-yloxyphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65431941

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene?
The IUPAC name of 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene (CID 65433099) is 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene is COc1ccc(C(Br)c2c(F)cccc2OC)c(Br)c1.
What is the InChIKey of 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene?
The InChIKey is MFABCKHHWYXNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO2/c1-19-9-6-7-10(11(16)8-9)15(17)14-12(18)4-3-5-13(14)20-2/h3-8,15H,1-2H3.
What are the key properties of 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene?
2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene has a molecular weight of 404.07 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 65433099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).