1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene

C14H10BrCl3O — CID 28981500

IUPAC1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
SMILESClCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3O/c15-11-2-4-14(10(5-11)7-16)19-8-9-1-3-12(17)6-13(9)18/h1-6H,7-8H2
InChIKeyGOVOCUPZCGNKKI-UHFFFAOYSA-N
MW380.50 g/mol
LogP6.07
Rot. Bonds4

About 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene

1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene (PubChem CID 28981500) has the molecular formula C14H10BrCl3O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
PubChem CID28981500
Molecular FormulaC14H10BrCl3O
Molecular Weight380.50 g/mol
Exact Mass377.90
IUPAC Name1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
SMILESClCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3O/c15-11-2-4-14(10(5-11)7-16)19-8-9-1-3-12(17)6-13(9)18/h1-6H,7-8H2
InChIKeyGOVOCUPZCGNKKI-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine
CID 78363744
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17295145
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
CID 43473004
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720637
2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 28981493
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 60879629

Frequently Asked Questions

What is the IUPAC name of 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene (CID 28981500) is 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene is ClCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene?
The InChIKey is GOVOCUPZCGNKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3O/c15-11-2-4-14(10(5-11)7-16)19-8-9-1-3-12(17)6-13(9)18/h1-6H,7-8H2.
What are the key properties of 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene?
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene has a molecular weight of 380.50 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene is sourced from PubChem (CID 28981500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).