1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene

C15H13Br2FO — CID 63442700

IUPAC1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene
SMILESCOc1ccc(C(Br)c2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C15H13Br2FO/c1-9-7-10(4-6-14(9)19-2)15(17)11-3-5-12(16)13(18)8-11/h3-8,15H,1-2H3
InChIKeyZRBMODALDGGAOK-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.39
Rot. Bonds3

About 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene

1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene (PubChem CID 63442700) has the molecular formula C15H13Br2FO and a molecular weight of 388.07 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene
PubChem CID63442700
Molecular FormulaC15H13Br2FO
Molecular Weight388.07 g/mol
Exact Mass385.93
IUPAC Name1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene
SMILESCOc1ccc(C(Br)c2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C15H13Br2FO/c1-9-7-10(4-6-14(9)19-2)15(17)11-3-5-12(16)13(18)8-11/h3-8,15H,1-2H3
InChIKeyZRBMODALDGGAOK-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.39
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

1-bromo-4-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 63439016
1-[bromo-(4-methoxy-3-methylphenyl)methyl]-3,5-difluorobenzene
CID 63442839
1-bromo-4-[bromo-(2-methoxy-5-methylphenyl)methyl]-2-fluorobenzene
CID 63443676
4-[bromo-(3-chloro-4-fluorophenyl)methyl]-1-methoxy-2-methylbenzene
CID 82878606
1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene
CID 63437045
5-[bromo-(3-bromo-4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63435205
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
4-[bromo-(3,4-difluorophenyl)methyl]-2-methoxy-1-methylbenzene
CID 63439681
4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene
CID 61097600
2-bromo-1-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-methylbenzene
CID 114023996
1-[bromo-(4-bromo-3-fluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63438166
4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
CID 61097588

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene (CID 63442700) is 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene is COc1ccc(C(Br)c2ccc(Br)c(F)c2)cc1C.
What is the InChIKey of 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene?
The InChIKey is ZRBMODALDGGAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO/c1-9-7-10(4-6-14(9)19-2)15(17)11-3-5-12(16)13(18)8-11/h3-8,15H,1-2H3.
What are the key properties of 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene?
1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene has a molecular weight of 388.07 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 63442700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).