2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene

C13H9BrCl2O — CID 925892

IUPAC2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1COc1ccc(Br)cc1
InChIInChI=1S/C13H9BrCl2O/c14-9-4-6-10(7-5-9)17-8-11-12(15)2-1-3-13(11)16/h1-7H,8H2
InChIKeyNWZUZVQSTNYDIU-UHFFFAOYSA-N
MW332.02 g/mol
LogP5.33
Rot. Bonds3

About 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene

2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene (PubChem CID 925892) has the molecular formula C13H9BrCl2O and a molecular weight of 332.02 g/mol. Its IUPAC name is 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
PubChem CID925892
Molecular FormulaC13H9BrCl2O
Molecular Weight332.02 g/mol
Exact Mass329.92
IUPAC Name2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1COc1ccc(Br)cc1
InChIInChI=1S/C13H9BrCl2O/c14-9-4-6-10(7-5-9)17-8-11-12(15)2-1-3-13(11)16/h1-7H,8H2
InChIKeyNWZUZVQSTNYDIU-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.02
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677693
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene
CID 174342674
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene?
The IUPAC name of 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene (CID 925892) is 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene?
The canonical SMILES for 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene is Clc1cccc(Cl)c1COc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene?
The InChIKey is NWZUZVQSTNYDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2O/c14-9-4-6-10(7-5-9)17-8-11-12(15)2-1-3-13(11)16/h1-7H,8H2.
What are the key properties of 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene?
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene has a molecular weight of 332.02 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene is sourced from PubChem (CID 925892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).