1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene

C14H10Br2Cl2O — CID 89437050

IUPAC1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(COc2cc(Br)ccc2CBr)c1
InChIInChI=1S/C14H10Br2Cl2O/c15-7-10-1-2-11(16)5-14(10)19-8-9-3-12(17)6-13(18)4-9/h1-6H,7-8H2
InChIKeyLUEPZQMLILZEIL-UHFFFAOYSA-N
MW424.95 g/mol
LogP6.23
Rot. Bonds4

About 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene

1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene (PubChem CID 89437050) has the molecular formula C14H10Br2Cl2O and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene
PubChem CID89437050
Molecular FormulaC14H10Br2Cl2O
Molecular Weight424.95 g/mol
Exact Mass421.85
IUPAC Name1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(COc2cc(Br)ccc2CBr)c1
InChIInChI=1S/C14H10Br2Cl2O/c15-7-10-1-2-11(16)5-14(10)19-8-9-3-12(17)6-13(18)4-9/h1-6H,7-8H2
InChIKeyLUEPZQMLILZEIL-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]-3,5-dimethylbenzene
CID 63536193
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
1-bromo-4-[[2-(bromomethyl)phenoxy]methyl]benzene
CID 43141593
2-bromo-4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-fluorobenzene
CID 63534999
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
1-bromo-3-chloro-5-(phenoxymethyl)benzene
CID 141438053
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene
CID 55222863
4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
CID 82918187
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene?
The IUPAC name of 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene (CID 89437050) is 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene.
What is the SMILES notation for 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene?
The canonical SMILES for 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene is Clc1cc(Cl)cc(COc2cc(Br)ccc2CBr)c1.
What is the InChIKey of 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene?
The InChIKey is LUEPZQMLILZEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2Cl2O/c15-7-10-1-2-11(16)5-14(10)19-8-9-3-12(17)6-13(18)4-9/h1-6H,7-8H2.
What are the key properties of 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene?
1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-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 1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene is sourced from PubChem (CID 89437050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).