2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene

C15H13BrCl2O2 — CID 65317020

IUPAC2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(OCc2cc(Cl)ccc2Cl)c(CBr)c1
InChIInChI=1S/C15H13BrCl2O2/c1-19-13-3-5-15(10(7-13)8-16)20-9-11-6-12(17)2-4-14(11)18/h2-7H,8-9H2,1H3
InChIKeyGEHLPSQWFIBIRO-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.48
Rot. Bonds5

About 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene

2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene (PubChem CID 65317020) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
PubChem CID65317020
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(OCc2cc(Cl)ccc2Cl)c(CBr)c1
InChIInChI=1S/C15H13BrCl2O2/c1-19-13-3-5-15(10(7-13)8-16)20-9-11-6-12(17)2-4-14(11)18/h2-7H,8-9H2,1H3
InChIKeyGEHLPSQWFIBIRO-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.48
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-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
(1S)-1-[2-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002549
2-(bromomethyl)-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 63535348
[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60878519
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene
CID 89437055
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene?
The IUPAC name of 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene (CID 65317020) is 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene?
The canonical SMILES for 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene is COc1ccc(OCc2cc(Cl)ccc2Cl)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene?
The InChIKey is GEHLPSQWFIBIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-19-13-3-5-15(10(7-13)8-16)20-9-11-6-12(17)2-4-14(11)18/h2-7H,8-9H2,1H3.
What are the key properties of 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene?
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene has a molecular weight of 376.08 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene is sourced from PubChem (CID 65317020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).