1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene

C14H9BrCl4O — CID 107306917

IUPAC1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
SMILESClc1cc(Cl)c(OCc2cccc(Cl)c2Cl)c(CBr)c1
InChIInChI=1S/C14H9BrCl4O/c15-6-9-4-10(16)5-12(18)14(9)20-7-8-2-1-3-11(17)13(8)19/h1-5H,6-7H2
InChIKeyOFWXCGWTGSLLAM-UHFFFAOYSA-N
MW414.94 g/mol
LogP6.77
Rot. Bonds4

About 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene

1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene (PubChem CID 107306917) has the molecular formula C14H9BrCl4O and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
PubChem CID107306917
Molecular FormulaC14H9BrCl4O
Molecular Weight414.94 g/mol
Exact Mass411.86
IUPAC Name1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
SMILESClc1cc(Cl)c(OCc2cccc(Cl)c2Cl)c(CBr)c1
InChIInChI=1S/C14H9BrCl4O/c15-6-9-4-10(16)5-12(18)14(9)20-7-8-2-1-3-11(17)13(8)19/h1-5H,6-7H2
InChIKeyOFWXCGWTGSLLAM-UHFFFAOYSA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 56.77
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

[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene
CID 107306942
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
CID 63535878
5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene
CID 107306943
1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 102856415
1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene
CID 43516371
2-[2-(bromomethyl)-4,6-dichlorophenoxy]acetonitrile
CID 22241513
1-(bromomethyl)-3,5-dichloro-2-[(4-nitrophenyl)methoxy]benzene
CID 43516353
1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine
CID 112613819
5-[[2-(bromomethyl)-4,6-dichlorophenoxy]methyl]-1,3-thiazole
CID 112641139
2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine
CID 60891469

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene (CID 107306917) is 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene is Clc1cc(Cl)c(OCc2cccc(Cl)c2Cl)c(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene?
The InChIKey is OFWXCGWTGSLLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl4O/c15-6-9-4-10(16)5-12(18)14(9)20-7-8-2-1-3-11(17)13(8)19/h1-5H,6-7H2.
What are the key properties of 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene?
1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene has a molecular weight of 414.94 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene is sourced from PubChem (CID 107306917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).