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

C16H16Br2O3 — CID 105057422

IUPAC1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2cc(OC)c(Br)cc2OC)cc1
InChIInChI=1S/C16H16Br2O3/c1-19-11-6-4-10(5-7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9,16H,1-3H3
InChIKeySJILRGXXWWFLLA-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.96
Rot. Bonds5

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

1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene (PubChem CID 105057422) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene
PubChem CID105057422
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2cc(OC)c(Br)cc2OC)cc1
InChIInChI=1S/C16H16Br2O3/c1-19-11-6-4-10(5-7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9,16H,1-3H3
InChIKeySJILRGXXWWFLLA-UHFFFAOYSA-N
XLogP4.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[bromo-(4-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057398
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
1-bromo-4-[bromo-(3-bromo-4-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992248
1-bromo-4-[bromo-(3,5-dichlorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057429
1-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992249
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
1-bromo-2-[bromo-(4-iodophenyl)methyl]-4,5-dimethoxybenzene
CID 63440645
1-bromo-4-[(4-bromophenyl)-chloromethyl]-2,5-dimethoxybenzene
CID 105057222
1-bromo-4-[bromo-(2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057401
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
4-bromo-2-[bromo-(4-methoxyphenyl)methyl]-1-chlorobenzene
CID 63437208
1-bromo-4-[bromo-(3-bromo-2-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057418

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene?
The IUPAC name of 1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene (CID 105057422) is 1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene is COc1ccc(C(Br)c2cc(OC)c(Br)cc2OC)cc1.
What is the InChIKey of 1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene?
The InChIKey is SJILRGXXWWFLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-19-11-6-4-10(5-7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9,16H,1-3H3.
What are the key properties of 1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene?
1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene has a molecular weight of 416.11 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene is sourced from PubChem (CID 105057422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).