2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene

C14H10BrCl3O — CID 65316926

IUPAC2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
SMILESClc1ccc(Cl)c(COc2ccc(Cl)cc2CBr)c1
InChIInChI=1S/C14H10BrCl3O/c15-7-9-5-12(17)2-4-14(9)19-8-10-6-11(16)1-3-13(10)18/h1-6H,7-8H2
InChIKeyKDTHOHFNIGXSCD-UHFFFAOYSA-N
MW380.50 g/mol
LogP6.12
Rot. Bonds4

About 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene

2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene (PubChem CID 65316926) has the molecular formula C14H10BrCl3O and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
PubChem CID65316926
Molecular FormulaC14H10BrCl3O
Molecular Weight380.50 g/mol
Exact Mass377.90
IUPAC Name2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
SMILESClc1ccc(Cl)c(COc2ccc(Cl)cc2CBr)c1
InChIInChI=1S/C14H10BrCl3O/c15-7-9-5-12(17)2-4-14(9)19-8-10-6-11(16)1-3-13(10)18/h1-6H,7-8H2
InChIKeyKDTHOHFNIGXSCD-UHFFFAOYSA-N
XLogP6.12
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 ≤ 56.12
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

2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
CID 65317020
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene
CID 89437055
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
CID 65318162
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
1-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-(bromomethyl)-4-chlorobenzene
CID 89437755

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene (CID 65316926) is 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene is Clc1ccc(Cl)c(COc2ccc(Cl)cc2CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene?
The InChIKey is KDTHOHFNIGXSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3O/c15-7-9-5-12(17)2-4-14(9)19-8-10-6-11(16)1-3-13(10)18/h1-6H,7-8H2.
What are the key properties of 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene?
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene has a molecular weight of 380.50 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene is sourced from PubChem (CID 65316926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).