1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene

C15H13Br2FO2 — CID 63440568

IUPAC1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Br)c2cccc(F)c2)cc1OC
InChIInChI=1S/C15H13Br2FO2/c1-19-13-7-11(12(16)8-14(13)20-2)15(17)9-4-3-5-10(18)6-9/h3-8,15H,1-2H3
InChIKeyFHUPDQYSIYJNBG-UHFFFAOYSA-N
MW404.07 g/mol
LogP5.09
Rot. Bonds4

About 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene

1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene (PubChem CID 63440568) has the molecular formula C15H13Br2FO2 and a molecular weight of 404.07 g/mol. Its IUPAC name is 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene
PubChem CID63440568
Molecular FormulaC15H13Br2FO2
Molecular Weight404.07 g/mol
Exact Mass401.93
IUPAC Name1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Br)c2cccc(F)c2)cc1OC
InChIInChI=1S/C15H13Br2FO2/c1-19-13-7-11(12(16)8-14(13)20-2)15(17)9-4-3-5-10(18)6-9/h3-8,15H,1-2H3
InChIKeyFHUPDQYSIYJNBG-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'}

Analyze 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43485047
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
1-bromo-2-[bromo-(4-iodophenyl)methyl]-4,5-dimethoxybenzene
CID 63440645
(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895832
1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396388
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 43118220
1-bromo-2-[(3-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432172
2-bromo-4-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964668
2-[bromo-(3-fluorophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435031
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
1-[bromo-(4-bromo-3-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 81294064
1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
CID 63435979

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene (CID 63440568) is 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene is COc1cc(Br)c(C(Br)c2cccc(F)c2)cc1OC.
What is the InChIKey of 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene?
The InChIKey is FHUPDQYSIYJNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO2/c1-19-13-7-11(12(16)8-14(13)20-2)15(17)9-4-3-5-10(18)6-9/h3-8,15H,1-2H3.
What are the key properties of 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene?
1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene 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 1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 63440568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).