2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene

C16H16Br2O3 — CID 63536563

IUPAC2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
SMILESCOc1ccc(CBr)c(OCc2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C16H16Br2O3/c1-19-13-5-4-12(9-17)16(8-13)21-10-11-3-6-15(20-2)14(18)7-11/h3-8H,9-10H2,1-2H3
InChIKeyVZECRFLRQYJOCN-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.94
Rot. Bonds6

About 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene

2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene (PubChem CID 63536563) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
PubChem CID63536563
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
SMILESCOc1ccc(CBr)c(OCc2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C16H16Br2O3/c1-19-13-5-4-12(9-17)16(8-13)21-10-11-3-6-15(20-2)14(18)7-11/h3-8H,9-10H2,1-2H3
InChIKeyVZECRFLRQYJOCN-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

1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63534360
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
(1R)-1-[4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78933056
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
2-bromo-4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 115402080
5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene
CID 104707269
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene (CID 63536563) is 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene is COc1ccc(CBr)c(OCc2ccc(OC)c(Br)c2)c1.
What is the InChIKey of 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene?
The InChIKey is VZECRFLRQYJOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-19-13-5-4-12(9-17)16(8-13)21-10-11-3-6-15(20-2)14(18)7-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene?
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-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 2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene is sourced from PubChem (CID 63536563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).