2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene

C16H16BrClO2 — CID 115956472

IUPAC2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2c(C)cccc2CCl)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-11-4-3-5-13(9-18)16(11)20-10-12-6-7-15(19-2)14(17)8-12/h3-8H,9-10H2,1-2H3
InChIKeyOYBUKJBAGCCTCD-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.08
Rot. Bonds5

About 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene

2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene (PubChem CID 115956472) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
PubChem CID115956472
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2c(C)cccc2CCl)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-11-4-3-5-13(9-18)16(11)20-10-12-6-7-15(19-2)14(17)8-12/h3-8H,9-10H2,1-2H3
InChIKeyOYBUKJBAGCCTCD-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
1-(bromomethyl)-2-[(3,4-dimethoxyphenyl)methoxy]-3-methylbenzene
CID 115956901
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
5-[[2-(bromomethyl)-6-methylphenoxy]methyl]-2-methoxybenzonitrile
CID 115956914
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
CID 115956147
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methylphenyl)methoxy]benzene
CID 43622701
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
5-chloro-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methoxybenzene
CID 104666195
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957662
5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
CID 115961843
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3,5-trimethylbenzene
CID 115956504

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene (CID 115956472) is 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene is COc1ccc(COc2c(C)cccc2CCl)cc1Br.
What is the InChIKey of 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene?
The InChIKey is OYBUKJBAGCCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-11-4-3-5-13(9-18)16(11)20-10-12-6-7-15(19-2)14(17)8-12/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene?
2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene has a molecular weight of 355.66 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene is sourced from PubChem (CID 115956472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).