2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene

C14H10Br2Cl2O — CID 55222863

IUPAC2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1COc1ccc(Br)cc1CBr
InChIInChI=1S/C14H10Br2Cl2O/c15-7-9-6-10(16)4-5-14(9)19-8-11-12(17)2-1-3-13(11)18/h1-6H,7-8H2
InChIKeyFFQPRWRKMSBZHU-UHFFFAOYSA-N
MW424.95 g/mol
LogP6.23
Rot. Bonds4

About 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene

2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene (PubChem CID 55222863) has the molecular formula C14H10Br2Cl2O and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene
PubChem CID55222863
Molecular FormulaC14H10Br2Cl2O
Molecular Weight424.95 g/mol
Exact Mass421.85
IUPAC Name2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1COc1ccc(Br)cc1CBr
InChIInChI=1S/C14H10Br2Cl2O/c15-7-9-6-10(16)4-5-14(9)19-8-11-12(17)2-1-3-13(11)18/h1-6H,7-8H2
InChIKeyFFQPRWRKMSBZHU-UHFFFAOYSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 56.23
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

1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
CID 102856373
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 114321006
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3,5-trimethylbenzene
CID 63536019
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993805
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980
2-(bromomethyl)-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 63535348
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
CID 43141621
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63536193
2-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528187

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene?
The IUPAC name of 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene (CID 55222863) is 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene?
The canonical SMILES for 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene is Clc1cccc(Cl)c1COc1ccc(Br)cc1CBr.
What is the InChIKey of 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene?
The InChIKey is FFQPRWRKMSBZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2Cl2O/c15-7-9-6-10(16)4-5-14(9)19-8-11-12(17)2-1-3-13(11)18/h1-6H,7-8H2.
What are the key properties of 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene?
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene has a molecular weight of 424.95 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene is sourced from PubChem (CID 55222863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).