4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene

C15H13BrCl2O — CID 174759962

IUPAC4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
SMILESClc1ccc(COc2ccc(CCBr)cc2)cc1Cl
InChIInChI=1S/C15H13BrCl2O/c16-8-7-11-1-4-13(5-2-11)19-10-12-3-6-14(17)15(18)9-12/h1-6,9H,7-8,10H2
InChIKeyDOTLLMZOMHEIRJ-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.51
Rot. Bonds5

About 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene

4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene (PubChem CID 174759962) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
PubChem CID174759962
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
SMILESClc1ccc(COc2ccc(CCBr)cc2)cc1Cl
InChIInChI=1S/C15H13BrCl2O/c16-8-7-11-1-4-13(5-2-11)19-10-12-3-6-14(17)15(18)9-12/h1-6,9H,7-8,10H2
InChIKeyDOTLLMZOMHEIRJ-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.51
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

1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
(2R)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylbutan-1-ol
CID 134817265
[(2S)-4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-hydroxy-2-methylbutan-2-yl]azanium
CID 138319054
2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
CID 138600610
4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine
CID 147775404
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
7-[(3,4-dichlorophenyl)methoxy]naphthalen-2-ol
CID 43326484
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene (CID 174759962) is 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene is Clc1ccc(COc2ccc(CCBr)cc2)cc1Cl.
What is the InChIKey of 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene?
The InChIKey is DOTLLMZOMHEIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c16-8-7-11-1-4-13(5-2-11)19-10-12-3-6-14(17)15(18)9-12/h1-6,9H,7-8,10H2.
What are the key properties of 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene?
4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene has a molecular weight of 360.08 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene is sourced from PubChem (CID 174759962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).