1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol

C26H19Br3Cl4O2 — CID 167660062

IUPAC1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol
SMILESBrCc1cccc(Br)c1.Clc1ccc(OCc2cccc(Br)c2)c(Cl)c1.Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2O.C7H6Br2.C6H4Cl2O/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(15)7-12(13)16;8-5-6-2-1-3-7(9)4-6;7-4-1-2-6(9)5(8)3-4/h1-7H,8H2;1-4H,5H2;1-3,9H
InChIKeyRUZIZTYZYMGNOH-UHFFFAOYSA-N
MW744.96 g/mol
LogP11.38
Rot. Bonds4

About 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol

1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol (PubChem CID 167660062) has the molecular formula C26H19Br3Cl4O2 and a molecular weight of 744.96 g/mol. Its IUPAC name is 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol.

Molecular Properties

Compound Name1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol
PubChem CID167660062
Molecular FormulaC26H19Br3Cl4O2
Molecular Weight744.96 g/mol
Exact Mass739.77
IUPAC Name1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol
SMILESBrCc1cccc(Br)c1.Clc1ccc(OCc2cccc(Br)c2)c(Cl)c1.Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2O.C7H6Br2.C6H4Cl2O/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(15)7-12(13)16;8-5-6-2-1-3-7(9)4-6;7-4-1-2-6(9)5(8)3-4/h1-7H,8H2;1-4H,5H2;1-3,9H
InChIKeyRUZIZTYZYMGNOH-UHFFFAOYSA-N
XLogP11.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 511.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
1-(bromomethyl)-3-nitrobenzene;2-chloro-1-[(3-nitrophenyl)methoxy]-4-(trifluoromethyl)benzene;2-chloro-4-(trifluoromethyl)phenol
CID 162208329
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
1-[(3-bromophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108881160
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
CID 79701275
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene
CID 155784427

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol?
The IUPAC name of 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol (CID 167660062) is 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol.
What is the SMILES notation for 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol?
The canonical SMILES for 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol is BrCc1cccc(Br)c1.Clc1ccc(OCc2cccc(Br)c2)c(Cl)c1.Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol?
The InChIKey is RUZIZTYZYMGNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2O.C7H6Br2.C6H4Cl2O/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(15)7-12(13)16;8-5-6-2-1-3-7(9)4-6;7-4-1-2-6(9)5(8)3-4/h1-7H,8H2;1-4H,5H2;1-3,9H.
What are the key properties of 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol?
1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol has a molecular weight of 744.96 g/mol, XLogP of 11.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol is sourced from PubChem (CID 167660062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).