1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene

C16H16Br2O3 — CID 65323171

IUPAC1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(COc2ccc(CBr)cc2OC)c1
InChIInChI=1S/C16H16Br2O3/c1-19-13-4-5-14(18)12(8-13)10-21-15-6-3-11(9-17)7-16(15)20-2/h3-8H,9-10H2,1-2H3
InChIKeyZKGFKCYZNACAFS-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.94
Rot. Bonds6

About 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene

1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene (PubChem CID 65323171) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
PubChem CID65323171
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(COc2ccc(CBr)cc2OC)c1
InChIInChI=1S/C16H16Br2O3/c1-19-13-4-5-14(18)12(8-13)10-21-15-6-3-11(9-17)7-16(15)20-2/h3-8H,9-10H2,1-2H3
InChIKeyZKGFKCYZNACAFS-UHFFFAOYSA-N
XLogP4.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.94
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

4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
CID 65322224
1-bromo-2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4-methoxybenzene
CID 114321028
1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
CID 65326137
[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741569
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616583
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
CID 62699007

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene?
The IUPAC name of 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene (CID 65323171) is 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene is COc1ccc(Br)c(COc2ccc(CBr)cc2OC)c1.
What is the InChIKey of 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene?
The InChIKey is ZKGFKCYZNACAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-19-13-4-5-14(18)12(8-13)10-21-15-6-3-11(9-17)7-16(15)20-2/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene?
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene has a molecular weight of 416.11 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene is sourced from PubChem (CID 65323171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).